2,7,7-trimethylcyclooctan-1-amine

C11H23N — CID 167202937

IUPAC2,7,7-trimethylcyclooctan-1-amine
SMILESCC1CCCCC(C)(C)CC1N
InChIInChI=1S/C11H23N/c1-9-6-4-5-7-11(2,3)8-10(9)12/h9-10H,4-8,12H2,1-3H3
InChIKeyLIGBWAMOMBQDQD-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.94
Rot. Bonds

About 2,7,7-trimethylcyclooctan-1-amine

2,7,7-trimethylcyclooctan-1-amine (PubChem CID 167202937) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2,7,7-trimethylcyclooctan-1-amine.

Molecular Properties

Compound Name2,7,7-trimethylcyclooctan-1-amine
PubChem CID167202937
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2,7,7-trimethylcyclooctan-1-amine
SMILESCC1CCCCC(C)(C)CC1N
InChIInChI=1S/C11H23N/c1-9-6-4-5-7-11(2,3)8-10(9)12/h9-10H,4-8,12H2,1-3H3
InChIKeyLIGBWAMOMBQDQD-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-2,5,5-trimethylcyclohexan-1-amine;hydrochloride
CID 141264865
cis-(1R,2S)-2-methylcyclohexan-1-amine
CID 638182
cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine
CID 142167756
ethene;2-methylcyclohexan-1-amine
CID 142086710
(9S,10R)-9-methylspiro[4.5]decan-10-amine
CID 42611664
(1S)-2-methylcyclopentan-1-amine
CID 154545726
2,6,6-trimethylcycloheptane-1-carboxamide
CID 86737466
1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane;1,1,2-trimethylcyclopropane
CID 158329208
1,1,5-trimethylcycloundecane
CID 161434950
6-methylspiro[2.5]octan-7-amine;hydrochloride
CID 67385635
cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol
CID 55291251
1,1-dimethylcyclononane
CID 59289773

Frequently Asked Questions

What is the IUPAC name of 2,7,7-trimethylcyclooctan-1-amine?
The IUPAC name of 2,7,7-trimethylcyclooctan-1-amine (CID 167202937) is 2,7,7-trimethylcyclooctan-1-amine.
What is the SMILES notation for 2,7,7-trimethylcyclooctan-1-amine?
The canonical SMILES for 2,7,7-trimethylcyclooctan-1-amine is CC1CCCCC(C)(C)CC1N.
What is the InChIKey of 2,7,7-trimethylcyclooctan-1-amine?
The InChIKey is LIGBWAMOMBQDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-9-6-4-5-7-11(2,3)8-10(9)12/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 2,7,7-trimethylcyclooctan-1-amine?
2,7,7-trimethylcyclooctan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,7-trimethylcyclooctan-1-amine is sourced from PubChem (CID 167202937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).