1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine

C16H28N2O — CID 62623196

IUPAC1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine
SMILESCNC(CCN(Cc1ccco1)C1CC1)C(C)(C)C
InChIInChI=1S/C16H28N2O/c1-16(2,3)15(17-4)9-10-18(13-7-8-13)12-14-6-5-11-19-14/h5-6,11,13,15,17H,7-10,12H2,1-4H3
InChIKeyVYAVJAAVRQLSRS-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.27
Rot. Bonds7

About 1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine

1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine (PubChem CID 62623196) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine
PubChem CID62623196
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine
SMILESCNC(CCN(Cc1ccco1)C1CC1)C(C)(C)C
InChIInChI=1S/C16H28N2O/c1-16(2,3)15(17-4)9-10-18(13-7-8-13)12-14-6-5-11-19-14/h5-6,11,13,15,17H,7-10,12H2,1-4H3
InChIKeyVYAVJAAVRQLSRS-UHFFFAOYSA-N
XLogP3.27
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine
CID 62623373
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62556893
4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
CID 65251772
N'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine
CID 103152377
1-N-cyclopropyl-1-N-ethyl-3-N,4,4-trimethylpentane-1,3-diamine
CID 62624071
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide
CID 79630506
4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid
CID 63074910
N-but-3-ynyl-N-(furan-2-ylmethyl)cyclopropanamine
CID 63657451
N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine
CID 62259205
N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62411687
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 62556721

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine (CID 62623196) is 1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine is CNC(CCN(Cc1ccco1)C1CC1)C(C)(C)C.
What is the InChIKey of 1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine?
The InChIKey is VYAVJAAVRQLSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(2,3)15(17-4)9-10-18(13-7-8-13)12-14-6-5-11-19-14/h5-6,11,13,15,17H,7-10,12H2,1-4H3.
What are the key properties of 1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine?
1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine is sourced from PubChem (CID 62623196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).