N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine

C22H48N2 — CID 166889423

IUPACN-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine
SMILESCCCCCCCCCCCCCCCC(C)NCCCN(C)C
InChIInChI=1S/C22H48N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(2)23-20-18-21-24(3)4/h22-23H,5-21H2,1-4H3
InChIKeyTYFIVHIHRMGCEY-UHFFFAOYSA-N
MW340.64 g/mol
LogP6.40
Rot. Bonds19

About N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine

N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine (PubChem CID 166889423) has the molecular formula C22H48N2 and a molecular weight of 340.64 g/mol. Its IUPAC name is N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine
PubChem CID166889423
Molecular FormulaC22H48N2
Molecular Weight340.64 g/mol
Exact Mass340.38
IUPAC NameN-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine
SMILESCCCCCCCCCCCCCCCC(C)NCCCN(C)C
InChIInChI=1S/C22H48N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(2)23-20-18-21-24(3)4/h22-23H,5-21H2,1-4H3
InChIKeyTYFIVHIHRMGCEY-UHFFFAOYSA-N
XLogP6.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-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

N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 43201514
N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine
CID 23468012
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-ylheptan-1-amine
CID 43572726
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylundecan-1-amine
CID 150124606
N-butylundecan-2-amine
CID 90035852
N',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine
CID 115712733
N-propylnonan-2-amine
CID 43129664
N'-(3-aminopropyl)-N'-[3-(decan-2-ylamino)propyl]propane-1,3-diamine
CID 90853445
N'-[2-(dimethylamino)ethyl]-N-heptan-2-yl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62555157
N-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43129707

Frequently Asked Questions

What is the IUPAC name of N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine (CID 166889423) is N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine is CCCCCCCCCCCCCCCC(C)NCCCN(C)C.
What is the InChIKey of N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is TYFIVHIHRMGCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(2)23-20-18-21-24(3)4/h22-23H,5-21H2,1-4H3.
What are the key properties of N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine?
N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 340.64 g/mol, XLogP of 6.40, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 166889423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).