N'-(4-aminobutyl)-N'-methylbutane-1,4-diamine

C9H23N3 — CID 14122864

IUPACN'-(4-aminobutyl)-N'-methylbutane-1,4-diamine
SMILESCN(CCCCN)CCCCN
InChIInChI=1S/C9H23N3/c1-12(8-4-2-6-10)9-5-3-7-11/h2-11H2,1H3
InChIKeyYGSZVVMFWRFFCI-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.40
Rot. Bonds8

About N'-(4-aminobutyl)-N'-methylbutane-1,4-diamine

N'-(4-aminobutyl)-N'-methylbutane-1,4-diamine (PubChem CID 14122864) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is N'-(4-aminobutyl)-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(4-aminobutyl)-N'-methylbutane-1,4-diamine
PubChem CID14122864
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC NameN'-(4-aminobutyl)-N'-methylbutane-1,4-diamine
SMILESCN(CCCCN)CCCCN
InChIInChI=1S/C9H23N3/c1-12(8-4-2-6-10)9-5-3-7-11/h2-11H2,1H3
InChIKeyYGSZVVMFWRFFCI-UHFFFAOYSA-N
XLogP0.40
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.40
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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Related Compounds

Dibutylamine
CID 8148
N1-(4-Aminobutyl)-1,4-butanediamine
CID 368
N,N-Diethyl-1,3-propanediamine
CID 61011
N'-(3-(Dimethylamino)propyl)-N,N-dimethyl-1,3-propanediamine
CID 81207
N,N-bis(3-aminopropyl)methylamine
CID 7777
Dimethyldipropylenetriamine
CID 82728
3-(Dibutylamino)propylamine
CID 1626
Novoldiamine
CID 78953
N-Propylbutylamine
CID 88399
Aminobutylhomospermidine
CID 6452022
Dibutylamine hydrochloride
CID 3083954
Bis(3-(methylamino)propyl)methylamine
CID 67161

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminobutyl)-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-(4-aminobutyl)-N'-methylbutane-1,4-diamine (CID 14122864) is N'-(4-aminobutyl)-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-(4-aminobutyl)-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-(4-aminobutyl)-N'-methylbutane-1,4-diamine is CN(CCCCN)CCCCN.
What is the InChIKey of N'-(4-aminobutyl)-N'-methylbutane-1,4-diamine?
The InChIKey is YGSZVVMFWRFFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-12(8-4-2-6-10)9-5-3-7-11/h2-11H2,1H3.
What are the key properties of N'-(4-aminobutyl)-N'-methylbutane-1,4-diamine?
N'-(4-aminobutyl)-N'-methylbutane-1,4-diamine has a molecular weight of 173.30 g/mol, XLogP of 0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminobutyl)-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 14122864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).