N-(3-aminopropyl)-N,N'-bis(cyclopropylmethyl)-N'-[3-(ethylamino)propyl]butane-1,4-diamine

C20H42N4 — CID 142817485

IUPACN-(3-aminopropyl)-N,N'-bis(cyclopropylmethyl)-N'-[3-(ethylamino)propyl]butane-1,4-diamine
SMILESCCNCCCN(CCCCN(CCCN)CC1CC1)CC1CC1
InChIInChI=1S/C20H42N4/c1-2-22-12-6-16-24(18-20-9-10-20)14-4-3-13-23(15-5-11-21)17-19-7-8-19/h19-20,22H,2-18,21H2,1H3
InChIKeyMGGHLPJNTHMLJO-UHFFFAOYSA-N
MW338.58 g/mol
LogP2.54
Rot. Bonds17

About N-(3-aminopropyl)-N,N'-bis(cyclopropylmethyl)-N'-[3-(ethylamino)propyl]butane-1,4-diamine

N-(3-aminopropyl)-N,N'-bis(cyclopropylmethyl)-N'-[3-(ethylamino)propyl]butane-1,4-diamine (PubChem CID 142817485) has the molecular formula C20H42N4 and a molecular weight of 338.58 g/mol. Its IUPAC name is N-(3-aminopropyl)-N,N'-bis(cyclopropylmethyl)-N'-[3-(ethylamino)propyl]butane-1,4-diamine.

Molecular Properties

Compound NameN-(3-aminopropyl)-N,N'-bis(cyclopropylmethyl)-N'-[3-(ethylamino)propyl]butane-1,4-diamine
PubChem CID142817485
Molecular FormulaC20H42N4
Molecular Weight338.58 g/mol
Exact Mass338.34
IUPAC NameN-(3-aminopropyl)-N,N'-bis(cyclopropylmethyl)-N'-[3-(ethylamino)propyl]butane-1,4-diamine
SMILESCCNCCCN(CCCCN(CCCN)CC1CC1)CC1CC1
InChIInChI=1S/C20H42N4/c1-2-22-12-6-16-24(18-20-9-10-20)14-4-3-13-23(15-5-11-21)17-19-7-8-19/h19-20,22H,2-18,21H2,1H3
InChIKeyMGGHLPJNTHMLJO-UHFFFAOYSA-N
XLogP2.54
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-N,N'-bis(cyclopropylmethyl)-N'-[3-(ethylamino)propyl]butane-1,4-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 N-(3-aminopropyl)-N,N'-bis(cyclopropylmethyl)-N'-[3-(ethylamino)propyl]butane-1,4-diamine?
The IUPAC name of N-(3-aminopropyl)-N,N'-bis(cyclopropylmethyl)-N'-[3-(ethylamino)propyl]butane-1,4-diamine (CID 142817485) is N-(3-aminopropyl)-N,N'-bis(cyclopropylmethyl)-N'-[3-(ethylamino)propyl]butane-1,4-diamine.
What is the SMILES notation for N-(3-aminopropyl)-N,N'-bis(cyclopropylmethyl)-N'-[3-(ethylamino)propyl]butane-1,4-diamine?
The canonical SMILES for N-(3-aminopropyl)-N,N'-bis(cyclopropylmethyl)-N'-[3-(ethylamino)propyl]butane-1,4-diamine is CCNCCCN(CCCCN(CCCN)CC1CC1)CC1CC1.
What is the InChIKey of N-(3-aminopropyl)-N,N'-bis(cyclopropylmethyl)-N'-[3-(ethylamino)propyl]butane-1,4-diamine?
The InChIKey is MGGHLPJNTHMLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N4/c1-2-22-12-6-16-24(18-20-9-10-20)14-4-3-13-23(15-5-11-21)17-19-7-8-19/h19-20,22H,2-18,21H2,1H3.
What are the key properties of N-(3-aminopropyl)-N,N'-bis(cyclopropylmethyl)-N'-[3-(ethylamino)propyl]butane-1,4-diamine?
N-(3-aminopropyl)-N,N'-bis(cyclopropylmethyl)-N'-[3-(ethylamino)propyl]butane-1,4-diamine has a molecular weight of 338.58 g/mol, XLogP of 2.54, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N,N'-bis(cyclopropylmethyl)-N'-[3-(ethylamino)propyl]butane-1,4-diamine is sourced from PubChem (CID 142817485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).