4-[cyclopropylmethyl(propyl)amino]butanimidamide

C11H23N3 — CID 61441846

IUPAC4-[cyclopropylmethyl(propyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(CCC)CC1CC1
InChIInChI=1S/C11H23N3/c1-2-7-14(9-10-5-6-10)8-3-4-11(12)13/h10H,2-9H2,1H3,(H3,12,13)
InChIKeyDICNPIOGPMENPI-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.82
Rot. Bonds8

About 4-[cyclopropylmethyl(propyl)amino]butanimidamide

4-[cyclopropylmethyl(propyl)amino]butanimidamide (PubChem CID 61441846) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(propyl)amino]butanimidamide.

Molecular Properties

Compound Name4-[cyclopropylmethyl(propyl)amino]butanimidamide
PubChem CID61441846
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name4-[cyclopropylmethyl(propyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(CCC)CC1CC1
InChIInChI=1S/C11H23N3/c1-2-7-14(9-10-5-6-10)8-3-4-11(12)13/h10H,2-9H2,1H3,(H3,12,13)
InChIKeyDICNPIOGPMENPI-UHFFFAOYSA-N
XLogP1.82
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.82
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 4-[cyclopropylmethyl(propyl)amino]butanimidamide?
The IUPAC name of 4-[cyclopropylmethyl(propyl)amino]butanimidamide (CID 61441846) is 4-[cyclopropylmethyl(propyl)amino]butanimidamide.
What is the SMILES notation for 4-[cyclopropylmethyl(propyl)amino]butanimidamide?
The canonical SMILES for 4-[cyclopropylmethyl(propyl)amino]butanimidamide is [H]/N=C(\N)CCCN(CCC)CC1CC1.
What is the InChIKey of 4-[cyclopropylmethyl(propyl)amino]butanimidamide?
The InChIKey is DICNPIOGPMENPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-2-7-14(9-10-5-6-10)8-3-4-11(12)13/h10H,2-9H2,1H3,(H3,12,13).
What are the key properties of 4-[cyclopropylmethyl(propyl)amino]butanimidamide?
4-[cyclopropylmethyl(propyl)amino]butanimidamide has a molecular weight of 197.33 g/mol, XLogP of 1.82, 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]butanimidamide is sourced from PubChem (CID 61441846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).