1-cycloheptylheptan-2-amine

C14H29N — CID 115837607

IUPAC1-cycloheptylheptan-2-amine
SMILESCCCCCC(N)CC1CCCCCC1
InChIInChI=1S/C14H29N/c1-2-3-6-11-14(15)12-13-9-7-4-5-8-10-13/h13-14H,2-12,15H2,1H3
InChIKeyMMHIONDUJIFKCP-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.25
Rot. Bonds6

About 1-cycloheptylheptan-2-amine

1-cycloheptylheptan-2-amine (PubChem CID 115837607) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-cycloheptylheptan-2-amine.

Molecular Properties

Compound Name1-cycloheptylheptan-2-amine
PubChem CID115837607
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-cycloheptylheptan-2-amine
SMILESCCCCCC(N)CC1CCCCCC1
InChIInChI=1S/C14H29N/c1-2-3-6-11-14(15)12-13-9-7-4-5-8-10-13/h13-14H,2-12,15H2,1H3
InChIKeyMMHIONDUJIFKCP-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.25
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

1-cyclopentyldecan-2-amine
CID 115835607
1-(thian-4-yl)dodecan-2-amine
CID 105138170
1-(oxan-4-yl)heptan-2-amine
CID 115846998
1-cyclopentylundecan-3-amine
CID 115835660
1-cycloheptyloctan-2-ol
CID 115783533
4-amino-5-cyclohexylpentan-1-ol
CID 82406010
1-cycloheptylheptan-1-amine
CID 65399314
1-cyclohexyl-5-methoxypentan-2-amine
CID 65092031
2-cyclopropylheptylcyclohexane
CID 57268487
1-cyclopentyl-4-ethyloctan-2-amine
CID 115806470
1-cyclopentylheptan-2-ylhydrazine
CID 105294676
1-cycloheptyl-4-cyclohexylbutan-2-amine
CID 114193048

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptylheptan-2-amine?
The IUPAC name of 1-cycloheptylheptan-2-amine (CID 115837607) is 1-cycloheptylheptan-2-amine.
What is the SMILES notation for 1-cycloheptylheptan-2-amine?
The canonical SMILES for 1-cycloheptylheptan-2-amine is CCCCCC(N)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptylheptan-2-amine?
The InChIKey is MMHIONDUJIFKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-2-3-6-11-14(15)12-13-9-7-4-5-8-10-13/h13-14H,2-12,15H2,1H3.
What are the key properties of 1-cycloheptylheptan-2-amine?
1-cycloheptylheptan-2-amine has a molecular weight of 211.39 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptylheptan-2-amine is sourced from PubChem (CID 115837607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).