N'-(3-methylbutyl)cyclopentanecarboximidamide

C11H22N2 — CID 63173998

IUPACN'-(3-methylbutyl)cyclopentanecarboximidamide
SMILESCC(C)CC/N=C(\N)C1CCCC1
InChIInChI=1S/C11H22N2/c1-9(2)7-8-13-11(12)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H2,12,13)
InChIKeyAQNPOZDCPKONPK-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.58
Rot. Bonds4

About N'-(3-methylbutyl)cyclopentanecarboximidamide

N'-(3-methylbutyl)cyclopentanecarboximidamide (PubChem CID 63173998) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-(3-methylbutyl)cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-(3-methylbutyl)cyclopentanecarboximidamide
PubChem CID63173998
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-(3-methylbutyl)cyclopentanecarboximidamide
SMILESCC(C)CC/N=C(\N)C1CCCC1
InChIInChI=1S/C11H22N2/c1-9(2)7-8-13-11(12)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H2,12,13)
InChIKeyAQNPOZDCPKONPK-UHFFFAOYSA-N
XLogP2.58
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.58
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbutyl)cyclopentanecarboximidamide?
The IUPAC name of N'-(3-methylbutyl)cyclopentanecarboximidamide (CID 63173998) is N'-(3-methylbutyl)cyclopentanecarboximidamide.
What is the SMILES notation for N'-(3-methylbutyl)cyclopentanecarboximidamide?
The canonical SMILES for N'-(3-methylbutyl)cyclopentanecarboximidamide is CC(C)CC/N=C(\N)C1CCCC1.
What is the InChIKey of N'-(3-methylbutyl)cyclopentanecarboximidamide?
The InChIKey is AQNPOZDCPKONPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)7-8-13-11(12)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-(3-methylbutyl)cyclopentanecarboximidamide?
N'-(3-methylbutyl)cyclopentanecarboximidamide has a molecular weight of 182.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbutyl)cyclopentanecarboximidamide is sourced from PubChem (CID 63173998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).