1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine

C16H34N2O — CID 81059110

IUPAC1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine
SMILESCC(C)OCCN(C)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C16H34N2O/c1-14(2)19-12-11-18(5)16(13-17)8-6-7-15(3,4)9-10-16/h14H,6-13,17H2,1-5H3
InChIKeyKPZUCFZMQOCRMW-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.03
Rot. Bonds6

About 1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine

1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine (PubChem CID 81059110) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine
PubChem CID81059110
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine
SMILESCC(C)OCCN(C)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C16H34N2O/c1-14(2)19-12-11-18(5)16(13-17)8-6-7-15(3,4)9-10-16/h14H,6-13,17H2,1-5H3
InChIKeyKPZUCFZMQOCRMW-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N,4,4-trimethyl-N-(3-methylbutyl)cycloheptan-1-amine
CID 65088221
1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine
CID 65088133
4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)thian-4-amine
CID 81059213
1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cycloheptan-1-amine
CID 79849786
1-(aminomethyl)-N,3,3,5-tetramethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 81059715
1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
CID 65088170
1-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylcyclopentan-1-amine
CID 62009346
1-(aminomethyl)-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine
CID 61427409
1-(aminomethyl)-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine
CID 65176468
1-(aminomethyl)-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 106450883
1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65087976
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
CID 65088073

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine (CID 81059110) is 1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine is CC(C)OCCN(C)C1(CN)CCCC(C)(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine?
The InChIKey is KPZUCFZMQOCRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-14(2)19-12-11-18(5)16(13-17)8-6-7-15(3,4)9-10-16/h14H,6-13,17H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine?
1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine is sourced from PubChem (CID 81059110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).