2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine

C18H38N2 — CID 43613910

IUPAC2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine
SMILESCCCCCCCC(C)(CN)N(C)C1CCCCCC1
InChIInChI=1S/C18H38N2/c1-4-5-6-9-12-15-18(2,16-19)20(3)17-13-10-7-8-11-14-17/h17H,4-16,19H2,1-3H3
InChIKeyNXZGJLONWMDUNY-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.72
Rot. Bonds9

About 2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine

2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine (PubChem CID 43613910) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine.

Molecular Properties

Compound Name2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine
PubChem CID43613910
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine
SMILESCCCCCCCC(C)(CN)N(C)C1CCCCCC1
InChIInChI=1S/C18H38N2/c1-4-5-6-9-12-15-18(2,16-19)20(3)17-13-10-7-8-11-14-17/h17H,4-16,19H2,1-3H3
InChIKeyNXZGJLONWMDUNY-UHFFFAOYSA-N
XLogP4.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.72
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-N,2-dimethylnonane-1,2-diamine
CID 43264803
N-methyl-N-(7-methyltridecan-7-yl)cyclopentanamine
CID 167034728
2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine
CID 80557311
2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine
CID 43267042
2-N-cyclopropyl-2-methyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63465034
2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine
CID 107397828
2-N-(4-ethylcyclohexyl)-2-N,2-dimethylpentane-1,2-diamine
CID 54948149
2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
CID 78944020
2-N-cyclopropyl-2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine
CID 61452960
2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine
CID 43294671
2-N-butyl-2-N,2-dimethylnonane-1,2-diamine
CID 43089517
2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)heptane-1,2-diamine
CID 80558361

Frequently Asked Questions

What is the IUPAC name of 2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine?
The IUPAC name of 2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine (CID 43613910) is 2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine.
What is the SMILES notation for 2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine?
The canonical SMILES for 2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine is CCCCCCCC(C)(CN)N(C)C1CCCCCC1.
What is the InChIKey of 2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine?
The InChIKey is NXZGJLONWMDUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-4-5-6-9-12-15-18(2,16-19)20(3)17-13-10-7-8-11-14-17/h17H,4-16,19H2,1-3H3.
What are the key properties of 2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine?
2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine is sourced from PubChem (CID 43613910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).