1-chloro-N,N,N',N'-tetrapropylethane-1,2-diamine

C14H31ClN2 — CID 91186850

IUPAC1-chloro-N,N,N',N'-tetrapropylethane-1,2-diamine
SMILESCCCN(CCC)CC(Cl)N(CCC)CCC
InChIInChI=1S/C14H31ClN2/c1-5-9-16(10-6-2)13-14(15)17(11-7-3)12-8-4/h14H,5-13H2,1-4H3
InChIKeyUDBKASUIVYKUTA-UHFFFAOYSA-N
MW262.87 g/mol
LogP3.80
Rot. Bonds11

About 1-chloro-N,N,N',N'-tetrapropylethane-1,2-diamine

1-chloro-N,N,N',N'-tetrapropylethane-1,2-diamine (PubChem CID 91186850) has the molecular formula C14H31ClN2 and a molecular weight of 262.87 g/mol. Its IUPAC name is 1-chloro-N,N,N',N'-tetrapropylethane-1,2-diamine.

Molecular Properties

Compound Name1-chloro-N,N,N',N'-tetrapropylethane-1,2-diamine
PubChem CID91186850
Molecular FormulaC14H31ClN2
Molecular Weight262.87 g/mol
Exact Mass262.22
IUPAC Name1-chloro-N,N,N',N'-tetrapropylethane-1,2-diamine
SMILESCCCN(CCC)CC(Cl)N(CCC)CCC
InChIInChI=1S/C14H31ClN2/c1-5-9-16(10-6-2)13-14(15)17(11-7-3)12-8-4/h14H,5-13H2,1-4H3
InChIKeyUDBKASUIVYKUTA-UHFFFAOYSA-N
XLogP3.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.87
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-chloro-N,N,N',N'-tetrapropylethane-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

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,N,N',N'-tetrapropylethane-1,2-diamine?
The IUPAC name of 1-chloro-N,N,N',N'-tetrapropylethane-1,2-diamine (CID 91186850) is 1-chloro-N,N,N',N'-tetrapropylethane-1,2-diamine.
What is the SMILES notation for 1-chloro-N,N,N',N'-tetrapropylethane-1,2-diamine?
The canonical SMILES for 1-chloro-N,N,N',N'-tetrapropylethane-1,2-diamine is CCCN(CCC)CC(Cl)N(CCC)CCC.
What is the InChIKey of 1-chloro-N,N,N',N'-tetrapropylethane-1,2-diamine?
The InChIKey is UDBKASUIVYKUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31ClN2/c1-5-9-16(10-6-2)13-14(15)17(11-7-3)12-8-4/h14H,5-13H2,1-4H3.
What are the key properties of 1-chloro-N,N,N',N'-tetrapropylethane-1,2-diamine?
1-chloro-N,N,N',N'-tetrapropylethane-1,2-diamine has a molecular weight of 262.87 g/mol, XLogP of 3.80, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,N,N',N'-tetrapropylethane-1,2-diamine is sourced from PubChem (CID 91186850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).