N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine;hydrochloride

C22H48ClN3 — CID 90675692

IUPACN'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine;hydrochloride
SMILESCl.NCCCNCCCNCC1CCCCCCCCCCCCCC1
InChIInChI=1S/C22H47N3.ClH/c23-17-13-18-24-19-14-20-25-21-22-15-11-9-7-5-3-1-2-4-6-8-10-12-16-22;/h22,24-25H,1-21,23H2;1H
InChIKeyNYVBHJOBSPGZKY-UHFFFAOYSA-N
MW390.10 g/mol
LogP5.42
Rot. Bonds9

About N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine;hydrochloride

N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine;hydrochloride (PubChem CID 90675692) has the molecular formula C22H48ClN3 and a molecular weight of 390.10 g/mol. Its IUPAC name is N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine;hydrochloride
PubChem CID90675692
Molecular FormulaC22H48ClN3
Molecular Weight390.10 g/mol
Exact Mass389.35
IUPAC NameN'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine;hydrochloride
SMILESCl.NCCCNCCCNCC1CCCCCCCCCCCCCC1
InChIInChI=1S/C22H47N3.ClH/c23-17-13-18-24-19-14-20-25-21-22-15-11-9-7-5-3-1-2-4-6-8-10-12-16-22;/h22,24-25H,1-21,23H2;1H
InChIKeyNYVBHJOBSPGZKY-UHFFFAOYSA-N
XLogP5.42
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.10
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine;hydrochloride 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 N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine;hydrochloride?
The IUPAC name of N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine;hydrochloride (CID 90675692) is N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine;hydrochloride.
What is the SMILES notation for N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine;hydrochloride?
The canonical SMILES for N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine;hydrochloride is Cl.NCCCNCCCNCC1CCCCCCCCCCCCCC1.
What is the InChIKey of N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine;hydrochloride?
The InChIKey is NYVBHJOBSPGZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N3.ClH/c23-17-13-18-24-19-14-20-25-21-22-15-11-9-7-5-3-1-2-4-6-8-10-12-16-22;/h22,24-25H,1-21,23H2;1H.
What are the key properties of N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine;hydrochloride?
N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine;hydrochloride has a molecular weight of 390.10 g/mol, XLogP of 5.42, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 90675692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).