2-N-(2-methylpropyl)nonane-1,2-diamine

C13H30N2 — CID 65385407

IUPAC2-N-(2-methylpropyl)nonane-1,2-diamine
SMILESCCCCCCCC(CN)NCC(C)C
InChIInChI=1S/C13H30N2/c1-4-5-6-7-8-9-13(10-14)15-11-12(2)3/h12-13,15H,4-11,14H2,1-3H3
InChIKeyRFBPZUCMSNYFFE-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.92
Rot. Bonds10

About 2-N-(2-methylpropyl)nonane-1,2-diamine

2-N-(2-methylpropyl)nonane-1,2-diamine (PubChem CID 65385407) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-N-(2-methylpropyl)nonane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methylpropyl)nonane-1,2-diamine
PubChem CID65385407
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name2-N-(2-methylpropyl)nonane-1,2-diamine
SMILESCCCCCCCC(CN)NCC(C)C
InChIInChI=1S/C13H30N2/c1-4-5-6-7-8-9-13(10-14)15-11-12(2)3/h12-13,15H,4-11,14H2,1-3H3
InChIKeyRFBPZUCMSNYFFE-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-(2-methylpropyl)nonane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(2,2-difluoroethyl)undecane-1,2-diamine
CID 114078509
(2R)-1-(nonadecan-10-ylamino)propan-2-ol
CID 98515290
2-N-prop-2-enylheptane-1,2-diamine
CID 65385138
2-N-dodecylbutane-1,2,4-triamine
CID 19990016
N-(2,3-dimethylbutyl)undecan-6-amine
CID 64569450
2-(2-hydroxypropylamino)octan-1-ol
CID 86053994
2-N-but-3-yn-2-ylnonane-1,2-diamine
CID 114415974
N-ethyl-2-methyldodecan-4-amine
CID 63412709
N-ethyl-2-methylheptadecan-6-amine
CID 105028964
ethyl 2-(2-methylpropylamino)nonanoate
CID 55224125
2-N-cyclopropyloctane-1,2-diamine
CID 62069624
2-methyltricosan-1-amine
CID 87547792

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylpropyl)nonane-1,2-diamine?
The IUPAC name of 2-N-(2-methylpropyl)nonane-1,2-diamine (CID 65385407) is 2-N-(2-methylpropyl)nonane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methylpropyl)nonane-1,2-diamine?
The canonical SMILES for 2-N-(2-methylpropyl)nonane-1,2-diamine is CCCCCCCC(CN)NCC(C)C.
What is the InChIKey of 2-N-(2-methylpropyl)nonane-1,2-diamine?
The InChIKey is RFBPZUCMSNYFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-4-5-6-7-8-9-13(10-14)15-11-12(2)3/h12-13,15H,4-11,14H2,1-3H3.
What are the key properties of 2-N-(2-methylpropyl)nonane-1,2-diamine?
2-N-(2-methylpropyl)nonane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.92, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylpropyl)nonane-1,2-diamine is sourced from PubChem (CID 65385407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).