1-(aminomethyl)-N,4-diethyl-N-(furan-2-ylmethyl)cycloheptan-1-amine

C17H30N2O — CID 65088021

IUPAC1-(aminomethyl)-N,4-diethyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
SMILESCCC1CCCC(CN)(N(CC)Cc2ccco2)CC1
InChIInChI=1S/C17H30N2O/c1-3-15-7-5-10-17(14-18,11-9-15)19(4-2)13-16-8-6-12-20-16/h6,8,12,15H,3-5,7,9-11,13-14,18H2,1-2H3
InChIKeyZPODYSSKWYZGLZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.79
Rot. Bonds6

About 1-(aminomethyl)-N,4-diethyl-N-(furan-2-ylmethyl)cycloheptan-1-amine

1-(aminomethyl)-N,4-diethyl-N-(furan-2-ylmethyl)cycloheptan-1-amine (PubChem CID 65088021) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N,4-diethyl-N-(furan-2-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,4-diethyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
PubChem CID65088021
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(aminomethyl)-N,4-diethyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
SMILESCCC1CCCC(CN)(N(CC)Cc2ccco2)CC1
InChIInChI=1S/C17H30N2O/c1-3-15-7-5-10-17(14-18,11-9-15)19(4-2)13-16-8-6-12-20-16/h6,8,12,15H,3-5,7,9-11,13-14,18H2,1-2H3
InChIKeyZPODYSSKWYZGLZ-UHFFFAOYSA-N
XLogP3.79
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine
CID 61423746
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758010
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115999043
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853318
1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine
CID 64744459
1-(aminomethyl)-N,3-diethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64501978
1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 65085139
1-(aminomethyl)-N-cyclopentyl-N,4-diethylcycloheptan-1-amine
CID 65088312
1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine
CID 65088620
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,4,4-trimethylcyclopentan-1-amine
CID 106663030
1-(aminomethyl)-N,4-diethyl-N-(oxolan-3-ylmethyl)cyclohexan-1-amine
CID 62009915

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,4-diethyl-N-(furan-2-ylmethyl)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,4-diethyl-N-(furan-2-ylmethyl)cycloheptan-1-amine (CID 65088021) is 1-(aminomethyl)-N,4-diethyl-N-(furan-2-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,4-diethyl-N-(furan-2-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,4-diethyl-N-(furan-2-ylmethyl)cycloheptan-1-amine is CCC1CCCC(CN)(N(CC)Cc2ccco2)CC1.
What is the InChIKey of 1-(aminomethyl)-N,4-diethyl-N-(furan-2-ylmethyl)cycloheptan-1-amine?
The InChIKey is ZPODYSSKWYZGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-3-15-7-5-10-17(14-18,11-9-15)19(4-2)13-16-8-6-12-20-16/h6,8,12,15H,3-5,7,9-11,13-14,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N,4-diethyl-N-(furan-2-ylmethyl)cycloheptan-1-amine?
1-(aminomethyl)-N,4-diethyl-N-(furan-2-ylmethyl)cycloheptan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,4-diethyl-N-(furan-2-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 65088021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).