N'-(2-methylcyclopropyl)heptane-1,7-diamine

C11H24N2 — CID 62409211

IUPACN'-(2-methylcyclopropyl)heptane-1,7-diamine
SMILESCC1CC1NCCCCCCCN
InChIInChI=1S/C11H24N2/c1-10-9-11(10)13-8-6-4-2-3-5-7-12/h10-11,13H,2-9,12H2,1H3
InChIKeyDMCGQGLPWNFEOF-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.89
Rot. Bonds8

About N'-(2-methylcyclopropyl)heptane-1,7-diamine

N'-(2-methylcyclopropyl)heptane-1,7-diamine (PubChem CID 62409211) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N'-(2-methylcyclopropyl)heptane-1,7-diamine.

Molecular Properties

Compound NameN'-(2-methylcyclopropyl)heptane-1,7-diamine
PubChem CID62409211
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN'-(2-methylcyclopropyl)heptane-1,7-diamine
SMILESCC1CC1NCCCCCCCN
InChIInChI=1S/C11H24N2/c1-10-9-11(10)13-8-6-4-2-3-5-7-12/h10-11,13H,2-9,12H2,1H3
InChIKeyDMCGQGLPWNFEOF-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylcyclopropyl)heptane-1,7-diamine?
The IUPAC name of N'-(2-methylcyclopropyl)heptane-1,7-diamine (CID 62409211) is N'-(2-methylcyclopropyl)heptane-1,7-diamine.
What is the SMILES notation for N'-(2-methylcyclopropyl)heptane-1,7-diamine?
The canonical SMILES for N'-(2-methylcyclopropyl)heptane-1,7-diamine is CC1CC1NCCCCCCCN.
What is the InChIKey of N'-(2-methylcyclopropyl)heptane-1,7-diamine?
The InChIKey is DMCGQGLPWNFEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-10-9-11(10)13-8-6-4-2-3-5-7-12/h10-11,13H,2-9,12H2,1H3.
What are the key properties of N'-(2-methylcyclopropyl)heptane-1,7-diamine?
N'-(2-methylcyclopropyl)heptane-1,7-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylcyclopropyl)heptane-1,7-diamine is sourced from PubChem (CID 62409211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).