N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine

C11H27N3 — CID 86269595

IUPACN'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine
SMILESCC(C)CN(CCCN)CCCCN
InChIInChI=1S/C11H27N3/c1-11(2)10-14(9-5-7-13)8-4-3-6-12/h11H,3-10,12-13H2,1-2H3
InChIKeyYCNKGIQJQLHPKB-UHFFFAOYSA-N
MW201.36 g/mol
LogP1.03
Rot. Bonds9

About N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine

N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine (PubChem CID 86269595) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine
PubChem CID86269595
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC NameN'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine
SMILESCC(C)CN(CCCN)CCCCN
InChIInChI=1S/C11H27N3/c1-11(2)10-14(9-5-7-13)8-4-3-6-12/h11H,3-10,12-13H2,1-2H3
InChIKeyYCNKGIQJQLHPKB-UHFFFAOYSA-N
XLogP1.03
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine?
The IUPAC name of N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine (CID 86269595) is N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine.
What is the SMILES notation for N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine?
The canonical SMILES for N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine is CC(C)CN(CCCN)CCCCN.
What is the InChIKey of N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine?
The InChIKey is YCNKGIQJQLHPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-11(2)10-14(9-5-7-13)8-4-3-6-12/h11H,3-10,12-13H2,1-2H3.
What are the key properties of N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine?
N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine has a molecular weight of 201.36 g/mol, XLogP of 1.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine is sourced from PubChem (CID 86269595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).