2-[[(cyclohexylamino)-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide

C18H30N4O2 — CID 110048599

IUPAC2-[[(cyclohexylamino)-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCc1occc1CN(C)/C(=N\CC(=O)N(C)C)NC1CCCCC1
InChIInChI=1S/C18H30N4O2/c1-14-15(10-11-24-14)13-22(4)18(19-12-17(23)21(2)3)20-16-8-6-5-7-9-16/h10-11,16H,5-9,12-13H2,1-4H3,(H,19,20)
InChIKeyKYEQHBMPPAQKRZ-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.39
Rot. Bonds5

About 2-[[(cyclohexylamino)-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide

2-[[(cyclohexylamino)-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110048599) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[[(cyclohexylamino)-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclohexylamino)-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110048599
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-[[(cyclohexylamino)-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCc1occc1CN(C)/C(=N\CC(=O)N(C)C)NC1CCCCC1
InChIInChI=1S/C18H30N4O2/c1-14-15(10-11-24-14)13-22(4)18(19-12-17(23)21(2)3)20-16-8-6-5-7-9-16/h10-11,16H,5-9,12-13H2,1-4H3,(H,19,20)
InChIKeyKYEQHBMPPAQKRZ-UHFFFAOYSA-N
XLogP2.39
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[ethylamino-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110048597
3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
CID 47385742
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110048566
3-cyclohexyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]thiourea
CID 47508994
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110048588
2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815743
2-[[(cyclohexylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115662
2-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119116690
2-[[(cyclohexylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047214
2-[[N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]-methylamino]-N,N-diethylacetamide;hydroiodide
CID 110053281
trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
CID 102731964
2-[[(cyclohexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111134761

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclohexylamino)-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclohexylamino)-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide (CID 110048599) is 2-[[(cyclohexylamino)-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclohexylamino)-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclohexylamino)-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide is Cc1occc1CN(C)/C(=N\CC(=O)N(C)C)NC1CCCCC1.
What is the InChIKey of 2-[[(cyclohexylamino)-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is KYEQHBMPPAQKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14-15(10-11-24-14)13-22(4)18(19-12-17(23)21(2)3)20-16-8-6-5-7-9-16/h10-11,16H,5-9,12-13H2,1-4H3,(H,19,20).
What are the key properties of 2-[[(cyclohexylamino)-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclohexylamino)-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 334.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclohexylamino)-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110048599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).