N-octan-2-ylcyclohexanamine

C14H29N — CID 13244945

IUPACN-octan-2-ylcyclohexanamine
SMILESCCCCCCC(C)NC1CCCCC1
InChIInChI=1S/C14H29N/c1-3-4-5-7-10-13(2)15-14-11-8-6-9-12-14/h13-15H,3-12H2,1-2H3
InChIKeyKJNOBEPAFMRDFP-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.27
Rot. Bonds7

About N-octan-2-ylcyclohexanamine

N-octan-2-ylcyclohexanamine (PubChem CID 13244945) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-octan-2-ylcyclohexanamine.

Molecular Properties

Compound NameN-octan-2-ylcyclohexanamine
PubChem CID13244945
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-octan-2-ylcyclohexanamine
SMILESCCCCCCC(C)NC1CCCCC1
InChIInChI=1S/C14H29N/c1-3-4-5-7-10-13(2)15-14-11-8-6-9-12-14/h13-15H,3-12H2,1-2H3
InChIKeyKJNOBEPAFMRDFP-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-nonan-2-ylcyclohexanamine
CID 43129679
N-heptan-2-ylcycloheptanamine
CID 43082272
N-pentan-2-ylcyclooctanamine
CID 43079432
N-(2-methyldodecan-3-yl)cyclohexanamine
CID 150788922
N-octan-2-ylspiro[4.5]decan-8-amine
CID 114817417
1-N'-cycloheptylheptane-1,1-diamine
CID 135361664
1-ethyl-N-octan-2-ylazepan-4-amine
CID 65073941
1-methyl-N-nonan-2-ylpiperidin-4-amine
CID 43373312
N-decan-4-ylcyclohexanamine
CID 175237913
1-ethyl-N-octan-2-ylpiperidin-4-amine
CID 43223034
1-N-heptan-2-ylcyclohexane-1,3-diamine
CID 79459220
[4-(heptan-2-ylamino)cyclohexyl]methanol
CID 103788540

Frequently Asked Questions

What is the IUPAC name of N-octan-2-ylcyclohexanamine?
The IUPAC name of N-octan-2-ylcyclohexanamine (CID 13244945) is N-octan-2-ylcyclohexanamine.
What is the SMILES notation for N-octan-2-ylcyclohexanamine?
The canonical SMILES for N-octan-2-ylcyclohexanamine is CCCCCCC(C)NC1CCCCC1.
What is the InChIKey of N-octan-2-ylcyclohexanamine?
The InChIKey is KJNOBEPAFMRDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-3-4-5-7-10-13(2)15-14-11-8-6-9-12-14/h13-15H,3-12H2,1-2H3.
What are the key properties of N-octan-2-ylcyclohexanamine?
N-octan-2-ylcyclohexanamine has a molecular weight of 211.39 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-2-ylcyclohexanamine is sourced from PubChem (CID 13244945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).