N'-(cyclohexen-1-yl)-N-pentylmethanediamine

C12H24N2 — CID 89312625

IUPACN'-(cyclohexen-1-yl)-N-pentylmethanediamine
SMILESCCCCCNCNC1=CCCCC1
InChIInChI=1S/C12H24N2/c1-2-3-7-10-13-11-14-12-8-5-4-6-9-12/h8,13-14H,2-7,9-11H2,1H3
InChIKeyYPKMWIIHJLFDDR-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.77
Rot. Bonds7

About N'-(cyclohexen-1-yl)-N-pentylmethanediamine

N'-(cyclohexen-1-yl)-N-pentylmethanediamine (PubChem CID 89312625) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N'-(cyclohexen-1-yl)-N-pentylmethanediamine.

Molecular Properties

Compound NameN'-(cyclohexen-1-yl)-N-pentylmethanediamine
PubChem CID89312625
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN'-(cyclohexen-1-yl)-N-pentylmethanediamine
SMILESCCCCCNCNC1=CCCCC1
InChIInChI=1S/C12H24N2/c1-2-3-7-10-13-11-14-12-8-5-4-6-9-12/h8,13-14H,2-7,9-11H2,1H3
InChIKeyYPKMWIIHJLFDDR-UHFFFAOYSA-N
XLogP2.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexen-1-yl)-N-pentylmethanediamine?
The IUPAC name of N'-(cyclohexen-1-yl)-N-pentylmethanediamine (CID 89312625) is N'-(cyclohexen-1-yl)-N-pentylmethanediamine.
What is the SMILES notation for N'-(cyclohexen-1-yl)-N-pentylmethanediamine?
The canonical SMILES for N'-(cyclohexen-1-yl)-N-pentylmethanediamine is CCCCCNCNC1=CCCCC1.
What is the InChIKey of N'-(cyclohexen-1-yl)-N-pentylmethanediamine?
The InChIKey is YPKMWIIHJLFDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-2-3-7-10-13-11-14-12-8-5-4-6-9-12/h8,13-14H,2-7,9-11H2,1H3.
What are the key properties of N'-(cyclohexen-1-yl)-N-pentylmethanediamine?
N'-(cyclohexen-1-yl)-N-pentylmethanediamine has a molecular weight of 196.34 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexen-1-yl)-N-pentylmethanediamine is sourced from PubChem (CID 89312625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).