3-[cyclopentyl(methyl)amino]-2-methylpropanimidamide

C10H21N3 — CID 43267241

IUPAC3-[cyclopentyl(methyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)C1CCCC1
InChIInChI=1S/C10H21N3/c1-8(10(11)12)7-13(2)9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H3,11,12)
InChIKeyCCYDXVNJFDIYFY-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.43
Rot. Bonds4

About 3-[cyclopentyl(methyl)amino]-2-methylpropanimidamide

3-[cyclopentyl(methyl)amino]-2-methylpropanimidamide (PubChem CID 43267241) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 3-[cyclopentyl(methyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[cyclopentyl(methyl)amino]-2-methylpropanimidamide
PubChem CID43267241
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name3-[cyclopentyl(methyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)C1CCCC1
InChIInChI=1S/C10H21N3/c1-8(10(11)12)7-13(2)9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H3,11,12)
InChIKeyCCYDXVNJFDIYFY-UHFFFAOYSA-N
XLogP1.43
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.43
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(methyl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[cyclopentyl(methyl)amino]-2-methylpropanimidamide (CID 43267241) is 3-[cyclopentyl(methyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[cyclopentyl(methyl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[cyclopentyl(methyl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(C)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(methyl)amino]-2-methylpropanimidamide?
The InChIKey is CCYDXVNJFDIYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-8(10(11)12)7-13(2)9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H3,11,12).
What are the key properties of 3-[cyclopentyl(methyl)amino]-2-methylpropanimidamide?
3-[cyclopentyl(methyl)amino]-2-methylpropanimidamide has a molecular weight of 183.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(methyl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 43267241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).