2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine

C16H36N2 — CID 43294671

IUPAC2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine
SMILESCCCCCCCC(C)(CN)N(C)CCCCC
InChIInChI=1S/C16H36N2/c1-5-7-9-10-11-13-16(3,15-17)18(4)14-12-8-6-2/h5-15,17H2,1-4H3
InChIKeyJKNYJXUBUVLEPU-UHFFFAOYSA-N
MW256.48 g/mol
LogP4.19
Rot. Bonds12

About 2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine

2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine (PubChem CID 43294671) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine
PubChem CID43294671
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine
SMILESCCCCCCCC(C)(CN)N(C)CCCCC
InChIInChI=1S/C16H36N2/c1-5-7-9-10-11-13-16(3,15-17)18(4)14-12-8-6-2/h5-15,17H2,1-4H3
InChIKeyJKNYJXUBUVLEPU-UHFFFAOYSA-N
XLogP4.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 54.19
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-butyl-2-N,2-dimethylnonane-1,2-diamine
CID 43089517
2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine
CID 55227526
2-N,2-dimethyl-2-N-(3-methylsulfanylpropyl)octane-1,2-diamine
CID 114236764
2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine
CID 43294696
2-N,2-dimethyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 43271963
2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine
CID 81059026
N-but-3-enyl-N,7-dimethyltetradecan-7-amine
CID 167034642
2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine
CID 79476491
2-N,2-dimethyl-2-N-pentan-2-yloctane-1,2-diamine
CID 43571908
2-N-cyclopropyl-2-N,2-dimethylnonane-1,2-diamine
CID 43264803
N-methyl-N-(2-methylbutan-2-yl)hexan-1-amine
CID 167034677
2-ethyl-2-N-hexyl-2-N-methylbutane-1,2-diamine
CID 62008988

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine (CID 43294671) is 2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine is CCCCCCCC(C)(CN)N(C)CCCCC.
What is the InChIKey of 2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine?
The InChIKey is JKNYJXUBUVLEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-5-7-9-10-11-13-16(3,15-17)18(4)14-12-8-6-2/h5-15,17H2,1-4H3.
What are the key properties of 2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine?
2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine has a molecular weight of 256.48 g/mol, XLogP of 4.19, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine is sourced from PubChem (CID 43294671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).