(2S)-3-cyclohexyl-N',2-dimethylpropanimidamide

C11H22N2 — CID 138723569

IUPAC(2S)-3-cyclohexyl-N',2-dimethylpropanimidamide
SMILESC/N=C(\N)[C@@H](C)CC1CCCCC1
InChIInChI=1S/C11H22N2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,12,13)/t9-/m0/s1
InChIKeyVSCWPGGWIYYKKE-VIFPVBQESA-N
MW182.31 g/mol
LogP2.58
Rot. Bonds3

About (2S)-3-cyclohexyl-N',2-dimethylpropanimidamide

(2S)-3-cyclohexyl-N',2-dimethylpropanimidamide (PubChem CID 138723569) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-N',2-dimethylpropanimidamide.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-N',2-dimethylpropanimidamide
PubChem CID138723569
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(2S)-3-cyclohexyl-N',2-dimethylpropanimidamide
SMILESC/N=C(\N)[C@@H](C)CC1CCCCC1
InChIInChI=1S/C11H22N2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,12,13)/t9-/m0/s1
InChIKeyVSCWPGGWIYYKKE-VIFPVBQESA-N
XLogP2.58
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

(2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
CID 10398017
(2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine
CID 10398018
(4R,4aR,5R)-4-Methyl-octahydro-quinolin-(2E)-ylideneamine
CID 11240701
(4R,6R,9R)-4-Methyl-decahydro-cyclohepta[b]pyridin-(2E)-ylideneamine
CID 44399796
(4S,4aS,5S)-4-Methyl-octahydro-quinolin-(2E)-ylideneamine
CID 44399834
(4R,4aS,5S)-4-Methyl-octahydro-quinolin-(2E)-ylideneamine
CID 44399945
3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
CID 45261746
2-butyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
CID 45261766
2-Imino-6-cyclohexylmethylpiperidine
CID 10799502
6-Cyclohexyl-piperidin-(2Z)-ylideneamine
CID 10822632
7-(2-ethylbutyl)hexahydro-1H-azepin-2-imine, monohydrochloride
CID 45259669
4-Propyl-piperidin-(2Z)-ylideneamine
CID 10655660

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-N',2-dimethylpropanimidamide?
The IUPAC name of (2S)-3-cyclohexyl-N',2-dimethylpropanimidamide (CID 138723569) is (2S)-3-cyclohexyl-N',2-dimethylpropanimidamide.
What is the SMILES notation for (2S)-3-cyclohexyl-N',2-dimethylpropanimidamide?
The canonical SMILES for (2S)-3-cyclohexyl-N',2-dimethylpropanimidamide is C/N=C(\N)[C@@H](C)CC1CCCCC1.
What is the InChIKey of (2S)-3-cyclohexyl-N',2-dimethylpropanimidamide?
The InChIKey is VSCWPGGWIYYKKE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,12,13)/t9-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-N',2-dimethylpropanimidamide?
(2S)-3-cyclohexyl-N',2-dimethylpropanimidamide has a molecular weight of 182.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-N',2-dimethylpropanimidamide is sourced from PubChem (CID 138723569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).