1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine

C18H36N2O — CID 65088127

IUPAC1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine
SMILESCCC1CCCC(CN)(N(CCOC)C(C)C2CC2)CC1
InChIInChI=1S/C18H36N2O/c1-4-16-6-5-10-18(14-19,11-9-16)20(12-13-21-3)15(2)17-7-8-17/h15-17H,4-14,19H2,1-3H3
InChIKeyQZFLRPRWTHXCGP-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.42
Rot. Bonds8

About 1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine

1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine (PubChem CID 65088127) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine
PubChem CID65088127
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine
SMILESCCC1CCCC(CN)(N(CCOC)C(C)C2CC2)CC1
InChIInChI=1S/C18H36N2O/c1-4-16-6-5-10-18(14-19,11-9-16)20(12-13-21-3)15(2)17-7-8-17/h15-17H,4-14,19H2,1-3H3
InChIKeyQZFLRPRWTHXCGP-UHFFFAOYSA-N
XLogP3.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449048
4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxepan-4-amine
CID 65079502
1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-4-propylcycloheptan-1-amine
CID 65088706
3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxolan-3-amine
CID 55203276
1-(aminomethyl)-4-ethyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine
CID 54986983
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propylcycloheptan-1-amine
CID 65089385
2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188231
3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine
CID 79950108
1-(aminomethyl)-N-(2-methoxyethyl)-N,3-di(propan-2-yl)cyclohexan-1-amine
CID 107449206
1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine
CID 65088226
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
N'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65088324

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine (CID 65088127) is 1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine is CCC1CCCC(CN)(N(CCOC)C(C)C2CC2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine?
The InChIKey is QZFLRPRWTHXCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-16-6-5-10-18(14-19,11-9-16)20(12-13-21-3)15(2)17-7-8-17/h15-17H,4-14,19H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine?
1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine is sourced from PubChem (CID 65088127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).