1-(1-aminohex-5-enyl)-N,N-dimethylcyclopentan-1-amine

C13H26N2 — CID 79070597

IUPAC1-(1-aminohex-5-enyl)-N,N-dimethylcyclopentan-1-amine
SMILESC=CCCCC(N)C1(N(C)C)CCCC1
InChIInChI=1S/C13H26N2/c1-4-5-6-9-12(14)13(15(2)3)10-7-8-11-13/h4,12H,1,5-11,14H2,2-3H3
InChIKeyDFYOZHLTJWXEPF-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.54
Rot. Bonds6

About 1-(1-aminohex-5-enyl)-N,N-dimethylcyclopentan-1-amine

1-(1-aminohex-5-enyl)-N,N-dimethylcyclopentan-1-amine (PubChem CID 79070597) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(1-aminohex-5-enyl)-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(1-aminohex-5-enyl)-N,N-dimethylcyclopentan-1-amine
PubChem CID79070597
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-(1-aminohex-5-enyl)-N,N-dimethylcyclopentan-1-amine
SMILESC=CCCCC(N)C1(N(C)C)CCCC1
InChIInChI=1S/C13H26N2/c1-4-5-6-9-12(14)13(15(2)3)10-7-8-11-13/h4,12H,1,5-11,14H2,2-3H3
InChIKeyDFYOZHLTJWXEPF-UHFFFAOYSA-N
XLogP2.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminohex-5-enyl)-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-(1-aminohex-5-enyl)-N,N-dimethylcyclopentan-1-amine (CID 79070597) is 1-(1-aminohex-5-enyl)-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-(1-aminohex-5-enyl)-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-(1-aminohex-5-enyl)-N,N-dimethylcyclopentan-1-amine is C=CCCCC(N)C1(N(C)C)CCCC1.
What is the InChIKey of 1-(1-aminohex-5-enyl)-N,N-dimethylcyclopentan-1-amine?
The InChIKey is DFYOZHLTJWXEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-5-6-9-12(14)13(15(2)3)10-7-8-11-13/h4,12H,1,5-11,14H2,2-3H3.
What are the key properties of 1-(1-aminohex-5-enyl)-N,N-dimethylcyclopentan-1-amine?
1-(1-aminohex-5-enyl)-N,N-dimethylcyclopentan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminohex-5-enyl)-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79070597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).