4-[cyclopropylmethyl(propyl)amino]-2,2-dimethylbutanimidamide

C13H27N3 — CID 65252334

IUPAC4-[cyclopropylmethyl(propyl)amino]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(CCC)CC1CC1
InChIInChI=1S/C13H27N3/c1-4-8-16(10-11-5-6-11)9-7-13(2,3)12(14)15/h11H,4-10H2,1-3H3,(H3,14,15)
InChIKeyCMUIVSZICZVYHN-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.46
Rot. Bonds8

About 4-[cyclopropylmethyl(propyl)amino]-2,2-dimethylbutanimidamide

4-[cyclopropylmethyl(propyl)amino]-2,2-dimethylbutanimidamide (PubChem CID 65252334) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(propyl)amino]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[cyclopropylmethyl(propyl)amino]-2,2-dimethylbutanimidamide
PubChem CID65252334
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name4-[cyclopropylmethyl(propyl)amino]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(CCC)CC1CC1
InChIInChI=1S/C13H27N3/c1-4-8-16(10-11-5-6-11)9-7-13(2,3)12(14)15/h11H,4-10H2,1-3H3,(H3,14,15)
InChIKeyCMUIVSZICZVYHN-UHFFFAOYSA-N
XLogP2.46
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[cyclopropylmethyl(propyl)amino]-2,2-dimethylbutanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

N,N-diethylcyclopropanecarboximidamide
CID 63178418
N,2,2,3-tetramethyl-N-propylbutanimidamide
CID 139650373
N,2,2-trimethyl-N-propylbutanimidamide
CID 140324988
4-[Methyl(2-methylbutyl)amino]butanimidamide
CID 43295901
3-[Cyclopropylmethyl(methyl)amino]propanimidamide
CID 43560428
4-[Cyclopropylmethyl(methyl)amino]butanimidamide
CID 60984079
3-[Cyclopropylmethyl(methyl)amino]-2-methylpropanimidamide
CID 60984082
4-[Methyl(3-methylbutyl)amino]butanimidamide
CID 61429035
3-[Cyclopropylmethyl(propyl)amino]propanimidamide
CID 61441845
4-[Cyclopropylmethyl(propyl)amino]butanimidamide
CID 61441846
3-[Cyclopropylmethyl(propyl)amino]-2-methylpropanimidamide
CID 61441894
3-[3,3-Dimethylbutyl(methyl)amino]propanimidamide
CID 61481318

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(propyl)amino]-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[cyclopropylmethyl(propyl)amino]-2,2-dimethylbutanimidamide (CID 65252334) is 4-[cyclopropylmethyl(propyl)amino]-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[cyclopropylmethyl(propyl)amino]-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[cyclopropylmethyl(propyl)amino]-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCN(CCC)CC1CC1.
What is the InChIKey of 4-[cyclopropylmethyl(propyl)amino]-2,2-dimethylbutanimidamide?
The InChIKey is CMUIVSZICZVYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-4-8-16(10-11-5-6-11)9-7-13(2,3)12(14)15/h11H,4-10H2,1-3H3,(H3,14,15).
What are the key properties of 4-[cyclopropylmethyl(propyl)amino]-2,2-dimethylbutanimidamide?
4-[cyclopropylmethyl(propyl)amino]-2,2-dimethylbutanimidamide has a molecular weight of 225.38 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(propyl)amino]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 65252334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).