N'-[4-(4-aminobutylamino)butyl]butane-1,4-diamine

C12H30N4 — CID 6452022

IUPACN'-[4-(4-aminobutylamino)butyl]butane-1,4-diamine
SMILESNCCCCNCCCCNCCCCN
InChIInChI=1S/C12H30N4/c13-7-1-3-9-15-11-5-6-12-16-10-4-2-8-14/h15-16H,1-14H2
InChIKeyRPSHOHKFHRFBAZ-UHFFFAOYSA-N
MW230.40 g/mol
LogP0.42
Rot. Bonds13

About N'-[4-(4-aminobutylamino)butyl]butane-1,4-diamine

N'-[4-(4-aminobutylamino)butyl]butane-1,4-diamine (PubChem CID 6452022) has the molecular formula C12H30N4 and a molecular weight of 230.40 g/mol. Its IUPAC name is N'-[4-(4-aminobutylamino)butyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[4-(4-aminobutylamino)butyl]butane-1,4-diamine
PubChem CID6452022
Molecular FormulaC12H30N4
Molecular Weight230.40 g/mol
Exact Mass230.25
IUPAC NameN'-[4-(4-aminobutylamino)butyl]butane-1,4-diamine
SMILESNCCCCNCCCCNCCCCN
InChIInChI=1S/C12H30N4/c13-7-1-3-9-15-11-5-6-12-16-10-4-2-8-14/h15-16H,1-14H2
InChIKeyRPSHOHKFHRFBAZ-UHFFFAOYSA-N
XLogP0.42
TPSA76.10 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 ≤ 50.42
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'-[4-(4-aminobutylamino)butyl]butane-1,4-diamine?
The IUPAC name of N'-[4-(4-aminobutylamino)butyl]butane-1,4-diamine (CID 6452022) is N'-[4-(4-aminobutylamino)butyl]butane-1,4-diamine.
What is the SMILES notation for N'-[4-(4-aminobutylamino)butyl]butane-1,4-diamine?
The canonical SMILES for N'-[4-(4-aminobutylamino)butyl]butane-1,4-diamine is NCCCCNCCCCNCCCCN.
What is the InChIKey of N'-[4-(4-aminobutylamino)butyl]butane-1,4-diamine?
The InChIKey is RPSHOHKFHRFBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4/c13-7-1-3-9-15-11-5-6-12-16-10-4-2-8-14/h15-16H,1-14H2.
What are the key properties of N'-[4-(4-aminobutylamino)butyl]butane-1,4-diamine?
N'-[4-(4-aminobutylamino)butyl]butane-1,4-diamine has a molecular weight of 230.40 g/mol, XLogP of 0.42, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-aminobutylamino)butyl]butane-1,4-diamine is sourced from PubChem (CID 6452022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).