1-heptylcycloheptan-1-amine

C14H29N — CID 63407607

IUPAC1-heptylcycloheptan-1-amine
SMILESCCCCCCCC1(N)CCCCCC1
InChIInChI=1S/C14H29N/c1-2-3-4-5-8-11-14(15)12-9-6-7-10-13-14/h2-13,15H2,1H3
InChIKeyGWUWLDORUOJDLB-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.40
Rot. Bonds6

About 1-heptylcycloheptan-1-amine

1-heptylcycloheptan-1-amine (PubChem CID 63407607) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-heptylcycloheptan-1-amine.

Molecular Properties

Compound Name1-heptylcycloheptan-1-amine
PubChem CID63407607
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-heptylcycloheptan-1-amine
SMILESCCCCCCCC1(N)CCCCCC1
InChIInChI=1S/C14H29N/c1-2-3-4-5-8-11-14(15)12-9-6-7-10-13-14/h2-13,15H2,1H3
InChIKeyGWUWLDORUOJDLB-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
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-butylcyclohexan-1-amine
CID 13182498
1-butylcyclohexan-1-amine;hydrochloride
CID 45264189
1-decylcyclopropan-1-amine
CID 66023987
1-pentylcyclopropan-1-amine
CID 66023547
4-heptyloxan-4-amine
CID 63220508
1,4-dibutylcyclohexane-1,4-diamine
CID 139996761
azane;1-propylcyclopentan-1-amine
CID 118268242
1-chloro-1-hexylcyclohexane
CID 57072771
1-methyl-1-undecylcyclohexane
CID 86137257
4-butyl-1-hexylcyclohexan-1-amine
CID 65020342
1,1,2,2-tetra(pentadecyl)cyclohexane
CID 175058240
1,1-dipentylcyclononane
CID 169026027

Frequently Asked Questions

What is the IUPAC name of 1-heptylcycloheptan-1-amine?
The IUPAC name of 1-heptylcycloheptan-1-amine (CID 63407607) is 1-heptylcycloheptan-1-amine.
What is the SMILES notation for 1-heptylcycloheptan-1-amine?
The canonical SMILES for 1-heptylcycloheptan-1-amine is CCCCCCCC1(N)CCCCCC1.
What is the InChIKey of 1-heptylcycloheptan-1-amine?
The InChIKey is GWUWLDORUOJDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-2-3-4-5-8-11-14(15)12-9-6-7-10-13-14/h2-13,15H2,1H3.
What are the key properties of 1-heptylcycloheptan-1-amine?
1-heptylcycloheptan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptylcycloheptan-1-amine is sourced from PubChem (CID 63407607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).