N-methyl-N-(3-methylbutyl)cyclopentanecarboximidamide

C12H24N2 — CID 63177358

IUPACN-methyl-N-(3-methylbutyl)cyclopentanecarboximidamide
SMILES[H]/N=C(/C1CCCC1)N(C)CCC(C)C
InChIInChI=1S/C12H24N2/c1-10(2)8-9-14(3)12(13)11-6-4-5-7-11/h10-11,13H,4-9H2,1-3H3/b13-12-
InChIKeyHQFZVIAWUDDHQT-SEYXRHQNSA-N
MW196.34 g/mol
LogP3.13
Rot. Bonds4

About N-methyl-N-(3-methylbutyl)cyclopentanecarboximidamide

N-methyl-N-(3-methylbutyl)cyclopentanecarboximidamide (PubChem CID 63177358) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)cyclopentanecarboximidamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)cyclopentanecarboximidamide
PubChem CID63177358
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-methyl-N-(3-methylbutyl)cyclopentanecarboximidamide
SMILES[H]/N=C(/C1CCCC1)N(C)CCC(C)C
InChIInChI=1S/C12H24N2/c1-10(2)8-9-14(3)12(13)11-6-4-5-7-11/h10-11,13H,4-9H2,1-3H3/b13-12-
InChIKeyHQFZVIAWUDDHQT-SEYXRHQNSA-N
XLogP3.13
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.13
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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Related Compounds

N-[2-(dimethylamino)ethyl]-N-methylcyclohexanecarboximidamide
CID 63725872
N-methyl-N-(2-methylbutyl)cyclohexanecarboximidamide
CID 63175585
N-(2-methoxyethyl)-N-methylcyclopentanecarboximidamide
CID 63177944
N-cyclopropyl-N-(2-methylpropyl)cyclohexanecarboximidamide
CID 63176684
N-(2,2-dimethylpropyl)-N-methylcyclohexanecarboximidamide
CID 63177816
N-methyl-N-(2-methylbutan-2-yl)cyclopentanecarboximidamide
CID 63962537
N-methyl-N-(2-pyridin-4-ylethyl)cyclohexanecarboximidamide
CID 63175381
N-butan-2-yl-N-ethylcyclopentanecarboximidamide
CID 63176258
N-(1-cyclopropylethyl)-N-methylcyclohexanecarboximidamide
CID 63176218
N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexanecarboximidamide
CID 63176962
N-(cyclopropylmethyl)-N-methylcyclopropanecarboximidamide
CID 63177015
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclopentanecarboximidamide
CID 63177458

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)cyclopentanecarboximidamide?
The IUPAC name of N-methyl-N-(3-methylbutyl)cyclopentanecarboximidamide (CID 63177358) is N-methyl-N-(3-methylbutyl)cyclopentanecarboximidamide.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)cyclopentanecarboximidamide?
The canonical SMILES for N-methyl-N-(3-methylbutyl)cyclopentanecarboximidamide is [H]/N=C(/C1CCCC1)N(C)CCC(C)C.
What is the InChIKey of N-methyl-N-(3-methylbutyl)cyclopentanecarboximidamide?
The InChIKey is HQFZVIAWUDDHQT-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)8-9-14(3)12(13)11-6-4-5-7-11/h10-11,13H,4-9H2,1-3H3/b13-12-.
What are the key properties of N-methyl-N-(3-methylbutyl)cyclopentanecarboximidamide?
N-methyl-N-(3-methylbutyl)cyclopentanecarboximidamide has a molecular weight of 196.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)cyclopentanecarboximidamide is sourced from PubChem (CID 63177358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).