N,N'-bis[3-(methylamino)propyl]butane-1,4-diamine

C12H30N4 — CID 10353817

IUPACN,N'-bis[3-(methylamino)propyl]butane-1,4-diamine
SMILESCNCCCNCCCCNCCCNC
InChIInChI=1S/C12H30N4/c1-13-7-5-11-15-9-3-4-10-16-12-6-8-14-2/h13-16H,3-12H2,1-2H3
InChIKeyRHMQCHCWNFTZMN-UHFFFAOYSA-N
MW230.40 g/mol
LogP0.16
Rot. Bonds13

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

N,N'-bis[3-(methylamino)propyl]butane-1,4-diamine (PubChem CID 10353817) has the molecular formula C12H30N4 and a molecular weight of 230.40 g/mol. Its IUPAC name is N,N'-bis[3-(methylamino)propyl]butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-bis[3-(methylamino)propyl]butane-1,4-diamine
PubChem CID10353817
Molecular FormulaC12H30N4
Molecular Weight230.40 g/mol
Exact Mass230.25
IUPAC NameN,N'-bis[3-(methylamino)propyl]butane-1,4-diamine
SMILESCNCCCNCCCCNCCCNC
InChIInChI=1S/C12H30N4/c1-13-7-5-11-15-9-3-4-10-16-12-6-8-14-2/h13-16H,3-12H2,1-2H3
InChIKeyRHMQCHCWNFTZMN-UHFFFAOYSA-N
XLogP0.16
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-(methylamino)propyl]butane-1,4-diamine?
The IUPAC name of N,N'-bis[3-(methylamino)propyl]butane-1,4-diamine (CID 10353817) is N,N'-bis[3-(methylamino)propyl]butane-1,4-diamine.
What is the SMILES notation for N,N'-bis[3-(methylamino)propyl]butane-1,4-diamine?
The canonical SMILES for N,N'-bis[3-(methylamino)propyl]butane-1,4-diamine is CNCCCNCCCCNCCCNC.
What is the InChIKey of N,N'-bis[3-(methylamino)propyl]butane-1,4-diamine?
The InChIKey is RHMQCHCWNFTZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4/c1-13-7-5-11-15-9-3-4-10-16-12-6-8-14-2/h13-16H,3-12H2,1-2H3.
What are the key properties of N,N'-bis[3-(methylamino)propyl]butane-1,4-diamine?
N,N'-bis[3-(methylamino)propyl]butane-1,4-diamine has a molecular weight of 230.40 g/mol, XLogP of 0.16, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-(methylamino)propyl]butane-1,4-diamine is sourced from PubChem (CID 10353817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).