1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-4-propylcycloheptan-1-amine

C18H38N2O — CID 65088706

IUPAC1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(CN)(N(CCOC)C(C)CC)CC1
InChIInChI=1S/C18H38N2O/c1-5-8-17-9-7-11-18(15-19,12-10-17)20(13-14-21-4)16(3)6-2/h16-17H,5-15,19H2,1-4H3
InChIKeyIFAXUJFEFAHEIL-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.81
Rot. Bonds9

About 1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-4-propylcycloheptan-1-amine

1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-4-propylcycloheptan-1-amine (PubChem CID 65088706) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-4-propylcycloheptan-1-amine
PubChem CID65088706
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(CN)(N(CCOC)C(C)CC)CC1
InChIInChI=1S/C18H38N2O/c1-5-8-17-9-7-11-18(15-19,12-10-17)20(13-14-21-4)16(3)6-2/h16-17H,5-15,19H2,1-4H3
InChIKeyIFAXUJFEFAHEIL-UHFFFAOYSA-N
XLogP3.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propylcycloheptan-1-amine
CID 65089385
1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine
CID 65088127
1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757009
8-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)spiro[4.5]decan-8-amine
CID 114818099
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propylcyclohexan-1-amine
CID 54947055
1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine
CID 79477400
1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine
CID 63470399
1-(aminomethyl)-N-cyclohexyl-N-methyl-4-propylcycloheptan-1-amine
CID 65091681
1-(aminomethyl)-N-(2-methoxyethyl)-N,3-di(propan-2-yl)cyclohexan-1-amine
CID 107449206
1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propylcyclohexan-1-amine
CID 63465758
1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65087976
1-(aminomethyl)-4-ethyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine
CID 54986983

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-4-propylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-4-propylcycloheptan-1-amine (CID 65088706) is 1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-4-propylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-4-propylcycloheptan-1-amine is CCCC1CCCC(CN)(N(CCOC)C(C)CC)CC1.
What is the InChIKey of 1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-4-propylcycloheptan-1-amine?
The InChIKey is IFAXUJFEFAHEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-5-8-17-9-7-11-18(15-19,12-10-17)20(13-14-21-4)16(3)6-2/h16-17H,5-15,19H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-4-propylcycloheptan-1-amine?
1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-4-propylcycloheptan-1-amine has a molecular weight of 298.51 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65088706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).