1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine

C18H38N2 — CID 79477400

IUPAC1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(CN)(N(CC)CC(C)CC)CC1
InChIInChI=1S/C18H38N2/c1-5-9-17-10-8-12-18(15-19,13-11-17)20(7-3)14-16(4)6-2/h16-17H,5-15,19H2,1-4H3
InChIKeyZAGNMBNAKKMILC-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.43
Rot. Bonds8

About 1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine

1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine (PubChem CID 79477400) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine
PubChem CID79477400
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(CN)(N(CC)CC(C)CC)CC1
InChIInChI=1S/C18H38N2/c1-5-9-17-10-8-12-18(15-19,13-11-17)20(7-3)14-16(4)6-2/h16-17H,5-15,19H2,1-4H3
InChIKeyZAGNMBNAKKMILC-UHFFFAOYSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine
CID 79476914
1-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 55191563
1-(aminomethyl)-N-ethyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine
CID 63471543
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
1-(aminomethyl)-N-(2-methylbutyl)-N-propylcyclohexan-1-amine
CID 62105853
1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-4-propylcycloheptan-1-amine
CID 65088706
1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine
CID 63487333
1-(aminomethyl)-N-cyclohexyl-N-methyl-4-propylcycloheptan-1-amine
CID 65091681
1-(aminomethyl)-N-ethyl-N,3-bis(2-methylpropyl)cyclohexan-1-amine
CID 107428924
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
CID 107397782
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propylcycloheptan-1-amine
CID 65089385
1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine
CID 63470399

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine (CID 79477400) is 1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine is CCCC1CCCC(CN)(N(CC)CC(C)CC)CC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine?
The InChIKey is ZAGNMBNAKKMILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-5-9-17-10-8-12-18(15-19,13-11-17)20(7-3)14-16(4)6-2/h16-17H,5-15,19H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine?
1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 79477400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).