N-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine

C17H38N2 — CID 43129707

IUPACN-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCCCCCCCC(C)NCCN(C(C)C)C(C)C
InChIInChI=1S/C17H38N2/c1-7-8-9-10-11-12-17(6)18-13-14-19(15(2)3)16(4)5/h15-18H,7-14H2,1-6H3
InChIKeyXGGUGOVHKXGYBA-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.44
Rot. Bonds12

About N-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 43129707) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is N-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID43129707
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC NameN-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCCCCCCCC(C)NCCN(C(C)C)C(C)C
InChIInChI=1S/C17H38N2/c1-7-8-9-10-11-12-17(6)18-13-14-19(15(2)3)16(4)5/h15-18H,7-14H2,1-6H3
InChIKeyXGGUGOVHKXGYBA-UHFFFAOYSA-N
XLogP4.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.44
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

N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine
CID 23468012
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-propylnonan-2-amine
CID 43129664
N-heptan-2-yldodecan-1-amine
CID 63491878
N-butylundecan-2-amine
CID 90035852
N-octan-2-ylundecan-1-amine
CID 150124606
N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 166889423
N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 43201514
N-heptan-2-yl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62560190
N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine
CID 116533966
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
CID 61465971

Frequently Asked Questions

What is the IUPAC name of N-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 43129707) is N-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine is CCCCCCCC(C)NCCN(C(C)C)C(C)C.
What is the InChIKey of N-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is XGGUGOVHKXGYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-7-8-9-10-11-12-17(6)18-13-14-19(15(2)3)16(4)5/h15-18H,7-14H2,1-6H3.
What are the key properties of N-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.44, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43129707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).