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

C17H30N2O — CID 62623373

IUPAC1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine
SMILESCCNC(CCN(Cc1ccco1)C1CC1)C(C)(C)C
InChIInChI=1S/C17H30N2O/c1-5-18-16(17(2,3)4)10-11-19(14-8-9-14)13-15-7-6-12-20-15/h6-7,12,14,16,18H,5,8-11,13H2,1-4H3
InChIKeyNXPZHUUPIOBMMN-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.66
Rot. Bonds8

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

1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine (PubChem CID 62623373) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine
PubChem CID62623373
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine
SMILESCCNC(CCN(Cc1ccco1)C1CC1)C(C)(C)C
InChIInChI=1S/C17H30N2O/c1-5-18-16(17(2,3)4)10-11-19(14-8-9-14)13-15-7-6-12-20-15/h6-7,12,14,16,18H,5,8-11,13H2,1-4H3
InChIKeyNXPZHUUPIOBMMN-UHFFFAOYSA-N
XLogP3.66
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine with MolForge

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Related Compounds

1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine
CID 62623196
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62556893
N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine
CID 62259205
4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
CID 65251772
N'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine
CID 103152377
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'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 62556721
N-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine
CID 62261273
N-but-3-ynyl-N-(furan-2-ylmethyl)cyclopropanamine
CID 63657451
1-N-cyclopropyl-2-N-ethyl-3,3-dimethyl-1-N-(3-methylbutyl)butane-1,2-diamine
CID 78976660

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine (CID 62623373) is 1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine is CCNC(CCN(Cc1ccco1)C1CC1)C(C)(C)C.
What is the InChIKey of 1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine?
The InChIKey is NXPZHUUPIOBMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-18-16(17(2,3)4)10-11-19(14-8-9-14)13-15-7-6-12-20-15/h6-7,12,14,16,18H,5,8-11,13H2,1-4H3.
What are the key properties of 1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine?
1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 62623373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).