1-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)cycloheptan-1-amine

C16H34N2O — CID 65084668

IUPAC1-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)cycloheptan-1-amine
SMILESCOCCN(CC(C)C)C1(CN)CCCC(C)CC1
InChIInChI=1S/C16H34N2O/c1-14(2)12-18(10-11-19-4)16(13-17)8-5-6-15(3)7-9-16/h14-15H,5-13,17H2,1-4H3
InChIKeyXCSGGQQUKFFADQ-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.89
Rot. Bonds7

About 1-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)cycloheptan-1-amine

1-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)cycloheptan-1-amine (PubChem CID 65084668) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)cycloheptan-1-amine
PubChem CID65084668
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)cycloheptan-1-amine
SMILESCOCCN(CC(C)C)C1(CN)CCCC(C)CC1
InChIInChI=1S/C16H34N2O/c1-14(2)12-18(10-11-19-4)16(13-17)8-5-6-15(3)7-9-16/h14-15H,5-13,17H2,1-4H3
InChIKeyXCSGGQQUKFFADQ-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-4-ethyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine
CID 54986983
4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1-propan-2-ylazepan-4-amine
CID 65078077
1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine
CID 103178113
N'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65088324
1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine
CID 65085240
1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
CID 65088170
1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine
CID 63487333
1-(aminomethyl)-N-(2-methoxyethyl)-2,2-dimethyl-N-(2-methylpropyl)cyclopentan-1-amine
CID 79856665
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine
CID 79520557
1-(aminomethyl)-N-(3-methoxypropyl)-N,4-dimethylcyclohexan-1-amine
CID 62006737
1-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)cycloheptan-1-amine
CID 65084874
1-(aminomethyl)-N,4-dimethyl-N-propylcycloheptan-1-amine
CID 65084771

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)cycloheptan-1-amine (CID 65084668) is 1-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)cycloheptan-1-amine is COCCN(CC(C)C)C1(CN)CCCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)cycloheptan-1-amine?
The InChIKey is XCSGGQQUKFFADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-14(2)12-18(10-11-19-4)16(13-17)8-5-6-15(3)7-9-16/h14-15H,5-13,17H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)cycloheptan-1-amine?
1-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)cycloheptan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)cycloheptan-1-amine is sourced from PubChem (CID 65084668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).