2-N-cyclopropyloctane-1,2-diamine

C11H24N2 — CID 62069624

IUPAC2-N-cyclopropyloctane-1,2-diamine
SMILESCCCCCCC(CN)NC1CC1
InChIInChI=1S/C11H24N2/c1-2-3-4-5-6-11(9-12)13-10-7-8-10/h10-11,13H,2-9,12H2,1H3
InChIKeyIZFNUKKWQGRPPL-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.04
Rot. Bonds8

About 2-N-cyclopropyloctane-1,2-diamine

2-N-cyclopropyloctane-1,2-diamine (PubChem CID 62069624) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 2-N-cyclopropyloctane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyloctane-1,2-diamine
PubChem CID62069624
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name2-N-cyclopropyloctane-1,2-diamine
SMILESCCCCCCC(CN)NC1CC1
InChIInChI=1S/C11H24N2/c1-2-3-4-5-6-11(9-12)13-10-7-8-10/h10-11,13H,2-9,12H2,1H3
InChIKeyIZFNUKKWQGRPPL-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
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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Related Compounds

2-N-(3-methylcyclopentyl)heptane-1,2-diamine
CID 114544598
N-decan-4-ylcyclohexanamine
CID 175237913
2-N-(3-methylcyclopentyl)pentane-1,2-diamine
CID 114544517
1-N'-cycloheptylheptane-1,1-diamine
CID 135361664
2-N-(2,2-difluoroethyl)undecane-1,2-diamine
CID 114078509
2-cyclopentyloctan-1-amine
CID 112569591
2-N-(2-methylpropyl)nonane-1,2-diamine
CID 65385407
2-N-but-3-yn-2-ylnonane-1,2-diamine
CID 114415974
N-octan-4-yl-4-propylcyclohexan-1-amine
CID 114138056
N-hexan-3-ylcyclopropanamine
CID 103920845
2-N-(cyclopropylmethyl)hexane-1,2-diamine
CID 65384187
N-nonan-2-ylcyclohexanamine
CID 43129679

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyloctane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyloctane-1,2-diamine (CID 62069624) is 2-N-cyclopropyloctane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyloctane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyloctane-1,2-diamine is CCCCCCC(CN)NC1CC1.
What is the InChIKey of 2-N-cyclopropyloctane-1,2-diamine?
The InChIKey is IZFNUKKWQGRPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-2-3-4-5-6-11(9-12)13-10-7-8-10/h10-11,13H,2-9,12H2,1H3.
What are the key properties of 2-N-cyclopropyloctane-1,2-diamine?
2-N-cyclopropyloctane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyloctane-1,2-diamine is sourced from PubChem (CID 62069624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).