2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-amine

C17H30N2O — CID 62707768

IUPAC2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCc1occc1CN(C)CC1CC(C(C)C)CCC1N
InChIInChI=1S/C17H30N2O/c1-12(2)14-5-6-17(18)16(9-14)11-19(4)10-15-7-8-20-13(15)3/h7-8,12,14,16-17H,5-6,9-11,18H2,1-4H3
InChIKeyHCEWVRWDBIWVOK-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.42
Rot. Bonds5

About 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-amine

2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 62707768) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID62707768
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCc1occc1CN(C)CC1CC(C(C)C)CCC1N
InChIInChI=1S/C17H30N2O/c1-12(2)14-5-6-17(18)16(9-14)11-19(4)10-15-7-8-20-13(15)3/h7-8,12,14,16-17H,5-6,9-11,18H2,1-4H3
InChIKeyHCEWVRWDBIWVOK-UHFFFAOYSA-N
XLogP3.42
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-amine with MolForge

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Related Compounds

2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55094127
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 79485681
2-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63494407
2-[[cyclopropylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62709059
N-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxolan-3-amine
CID 66245971
3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]cyclopentane-1,3-diamine
CID 79469279
N-ethyl-2,2-dimethyl-5-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclopentan-1-amine
CID 79856167
2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 63493814
3,5-dimethyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 64737262
4-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 55094882
1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine
CID 81170245
2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine
CID 61424071

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-amine (CID 62707768) is 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-amine is Cc1occc1CN(C)CC1CC(C(C)C)CCC1N.
What is the InChIKey of 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is HCEWVRWDBIWVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12(2)14-5-6-17(18)16(9-14)11-19(4)10-15-7-8-20-13(15)3/h7-8,12,14,16-17H,5-6,9-11,18H2,1-4H3.
What are the key properties of 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 62707768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).