2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine

C18H38N2 — CID 78944020

IUPAC2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
SMILESCCCCCCCC(C)(CN)N(CCC(C)C)C1CC1
InChIInChI=1S/C18H38N2/c1-5-6-7-8-9-13-18(4,15-19)20(17-10-11-17)14-12-16(2)3/h16-17H,5-15,19H2,1-4H3
InChIKeyRAROSDQDTAOTDG-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.57
Rot. Bonds12

About 2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine

2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine (PubChem CID 78944020) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
PubChem CID78944020
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
SMILESCCCCCCCC(C)(CN)N(CCC(C)C)C1CC1
InChIInChI=1S/C18H38N2/c1-5-6-7-8-9-13-18(4,15-19)20(17-10-11-17)14-12-16(2)3/h16-17H,5-15,19H2,1-4H3
InChIKeyRAROSDQDTAOTDG-UHFFFAOYSA-N
XLogP4.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.57
H-Bond Donors ≤ 51
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-cyclopropyl-2-methyl-2-N-(3-methylbutyl)heptane-1,2-diamine
CID 80558361
2-N-cyclopropyl-2-methyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63465034
2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine
CID 78974063
2-N-cyclopropyl-2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine
CID 61452960
2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine
CID 107869523
2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine
CID 78973586
2-N-cyclopropyl-2-N,2-dimethylnonane-1,2-diamine
CID 43264803
2-N-cyclopentyl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 43540970
2-N,2-dimethyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 43271963
2-N-cyclopropyl-2-methyl-2-N-(thiophen-3-ylmethyl)nonane-1,2-diamine
CID 63470809
2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine
CID 43613910
2-N-cyclohexyl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 43409655

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine (CID 78944020) is 2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine is CCCCCCCC(C)(CN)N(CCC(C)C)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine?
The InChIKey is RAROSDQDTAOTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-5-6-7-8-9-13-18(4,15-19)20(17-10-11-17)14-12-16(2)3/h16-17H,5-15,19H2,1-4H3.
What are the key properties of 2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine?
2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.57, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine is sourced from PubChem (CID 78944020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).