N-[(1-propan-2-ylcyclohexyl)methyl]methanimine

C11H21N — CID 167558868

IUPACN-[(1-propan-2-ylcyclohexyl)methyl]methanimine
SMILESC=NCC1(C(C)C)CCCCC1
InChIInChI=1S/C11H21N/c1-10(2)11(9-12-3)7-5-4-6-8-11/h10H,3-9H2,1-2H3
InChIKeyDJKAZFALLQWXIN-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.29
Rot. Bonds3

About N-[(1-propan-2-ylcyclohexyl)methyl]methanimine

N-[(1-propan-2-ylcyclohexyl)methyl]methanimine (PubChem CID 167558868) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-[(1-propan-2-ylcyclohexyl)methyl]methanimine.

Molecular Properties

Compound NameN-[(1-propan-2-ylcyclohexyl)methyl]methanimine
PubChem CID167558868
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-[(1-propan-2-ylcyclohexyl)methyl]methanimine
SMILESC=NCC1(C(C)C)CCCCC1
InChIInChI=1S/C11H21N/c1-10(2)11(9-12-3)7-5-4-6-8-11/h10H,3-9H2,1-2H3
InChIKeyDJKAZFALLQWXIN-UHFFFAOYSA-N
XLogP3.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(methoxymethyl)-1-propan-2-ylcyclohexane
CID 70370924
2-(1-propan-2-ylcyclohexyl)acetaldehyde
CID 57205409
1-(3-methylbutyl)-1-propan-2-ylcyclopentane
CID 140662970
1-(methoxymethyl)-1-propan-2-ylcyclobutane
CID 90167872
1,1-di(propan-2-yl)cycloheptane
CID 23589303
1-(chloromethyl)-1-(3-methylbutan-2-yl)cyclohexane
CID 131054150
1-ethyl-1-propan-2-ylcyclopropane
CID 22977902
1-(1-ethylcyclohexyl)-N-methylethanamine
CID 142438459
1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]cycloheptan-1-ol
CID 114113614
(1-propan-2-ylcyclohexyl) hypoiodite
CID 166941046
1-but-3-en-2-yl-1-ethylcyclopentane;propane
CID 145053026
2-[1-(1-aminoethyl)cyclohexyl]ethanol
CID 66091695

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylcyclohexyl)methyl]methanimine?
The IUPAC name of N-[(1-propan-2-ylcyclohexyl)methyl]methanimine (CID 167558868) is N-[(1-propan-2-ylcyclohexyl)methyl]methanimine.
What is the SMILES notation for N-[(1-propan-2-ylcyclohexyl)methyl]methanimine?
The canonical SMILES for N-[(1-propan-2-ylcyclohexyl)methyl]methanimine is C=NCC1(C(C)C)CCCCC1.
What is the InChIKey of N-[(1-propan-2-ylcyclohexyl)methyl]methanimine?
The InChIKey is DJKAZFALLQWXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2)11(9-12-3)7-5-4-6-8-11/h10H,3-9H2,1-2H3.
What are the key properties of N-[(1-propan-2-ylcyclohexyl)methyl]methanimine?
N-[(1-propan-2-ylcyclohexyl)methyl]methanimine has a molecular weight of 167.30 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylcyclohexyl)methyl]methanimine is sourced from PubChem (CID 167558868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).