methane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine

C17H44N6 — CID 158129365

IUPACmethane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine
SMILESC.NCCCN(CCCN)CCCCN(CCCN)CCCN
InChIInChI=1S/C16H40N6.CH4/c17-7-3-13-21(14-4-8-18)11-1-2-12-22(15-5-9-19)16-6-10-20;/h1-20H2;1H4
InChIKeyFSOSGKSMGAFGQL-UHFFFAOYSA-N
MW332.58 g/mol
LogP0.40
Rot. Bonds17

About methane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine

methane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine (PubChem CID 158129365) has the molecular formula C17H44N6 and a molecular weight of 332.58 g/mol. Its IUPAC name is methane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine.

Molecular Properties

Compound Namemethane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine
PubChem CID158129365
Molecular FormulaC17H44N6
Molecular Weight332.58 g/mol
Exact Mass332.36
IUPAC Namemethane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine
SMILESC.NCCCN(CCCN)CCCCN(CCCN)CCCN
InChIInChI=1S/C16H40N6.CH4/c17-7-3-13-21(14-4-8-18)11-1-2-12-22(15-5-9-19)16-6-10-20;/h1-20H2;1H4
InChIKeyFSOSGKSMGAFGQL-UHFFFAOYSA-N
XLogP0.40
TPSA110.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.58
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methane;N,N,N',N'-tetrakis(3-aminopropyl)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

Related Compounds

N,N-bis(3-aminopropyl)-N'-[3-[bis(3-aminopropyl)amino]propyl]-N'-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]butane-1,4-diamine
CID 118403322
N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine
CID 87383613
N',N'-bis(6-aminohexyl)hexane-1,6-diamine
CID 21260857
N',N'-diheptylpropane-1,3-diamine
CID 22251174
N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine
CID 159685890
2-[bis(3-aminopropyl)amino]ethanol
CID 19359070
N',N'-dibutylpropane-1,3-diamine;ethane
CID 170746351
N',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide
CID 170557636
N'-(3-aminopropyl)-N'-hexylbutane-1,4-diamine
CID 10955355
N,N',N'-tris(3-aminopropyl)butane-1,4-diamine
CID 86175000
N'-[3-[3-aminopropyl(octadecyl)amino]propyl]-N'-butylpropane-1,3-diamine;N'-butyl-N'-dodecylpropane-1,3-diamine
CID 162265791
N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine
CID 86127606

Frequently Asked Questions

What is the IUPAC name of methane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine?
The IUPAC name of methane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine (CID 158129365) is methane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine.
What is the SMILES notation for methane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine?
The canonical SMILES for methane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine is C.NCCCN(CCCN)CCCCN(CCCN)CCCN.
What is the InChIKey of methane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine?
The InChIKey is FSOSGKSMGAFGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40N6.CH4/c17-7-3-13-21(14-4-8-18)11-1-2-12-22(15-5-9-19)16-6-10-20;/h1-20H2;1H4.
What are the key properties of methane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine?
methane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine has a molecular weight of 332.58 g/mol, XLogP of 0.40, 17 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine is sourced from PubChem (CID 158129365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).