N,N-dipropylbutanimidamide

C10H22N2 — CID 62048118

IUPACN,N-dipropylbutanimidamide
SMILES[H]/N=C(\CCC)N(CCC)CCC
InChIInChI=1S/C10H22N2/c1-4-7-10(11)12(8-5-2)9-6-3/h11H,4-9H2,1-3H3/b11-10+
InChIKeyLVXHITFMDGAYLY-ZHACJKMWSA-N
MW170.30 g/mol
LogP2.89
Rot. Bonds6

About N,N-dipropylbutanimidamide

N,N-dipropylbutanimidamide (PubChem CID 62048118) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N,N-dipropylbutanimidamide.

Molecular Properties

Compound NameN,N-dipropylbutanimidamide
PubChem CID62048118
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN,N-dipropylbutanimidamide
SMILES[H]/N=C(\CCC)N(CCC)CCC
InChIInChI=1S/C10H22N2/c1-4-7-10(11)12(8-5-2)9-6-3/h11H,4-9H2,1-3H3/b11-10+
InChIKeyLVXHITFMDGAYLY-ZHACJKMWSA-N
XLogP2.89
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,N-dipropylbutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dipropylbutanimidamide?
The IUPAC name of N,N-dipropylbutanimidamide (CID 62048118) is N,N-dipropylbutanimidamide.
What is the SMILES notation for N,N-dipropylbutanimidamide?
The canonical SMILES for N,N-dipropylbutanimidamide is [H]/N=C(\CCC)N(CCC)CCC.
What is the InChIKey of N,N-dipropylbutanimidamide?
The InChIKey is LVXHITFMDGAYLY-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-7-10(11)12(8-5-2)9-6-3/h11H,4-9H2,1-3H3/b11-10+.
What are the key properties of N,N-dipropylbutanimidamide?
N,N-dipropylbutanimidamide has a molecular weight of 170.30 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropylbutanimidamide is sourced from PubChem (CID 62048118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).