N-[3-(1-ethylcyclopropyl)-2-methylbutan-2-yl]methanimine

C11H21N — CID 123300900

IUPACN-[3-(1-ethylcyclopropyl)-2-methylbutan-2-yl]methanimine
SMILESC=NC(C)(C)C(C)C1(CC)CC1
InChIInChI=1S/C11H21N/c1-6-11(7-8-11)9(2)10(3,4)12-5/h9H,5-8H2,1-4H3
InChIKeyDTOSXSILDUYPOZ-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.29
Rot. Bonds4

About N-[3-(1-ethylcyclopropyl)-2-methylbutan-2-yl]methanimine

N-[3-(1-ethylcyclopropyl)-2-methylbutan-2-yl]methanimine (PubChem CID 123300900) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-[3-(1-ethylcyclopropyl)-2-methylbutan-2-yl]methanimine.

Molecular Properties

Compound NameN-[3-(1-ethylcyclopropyl)-2-methylbutan-2-yl]methanimine
PubChem CID123300900
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-[3-(1-ethylcyclopropyl)-2-methylbutan-2-yl]methanimine
SMILESC=NC(C)(C)C(C)C1(CC)CC1
InChIInChI=1S/C11H21N/c1-6-11(7-8-11)9(2)10(3,4)12-5/h9H,5-8H2,1-4H3
InChIKeyDTOSXSILDUYPOZ-UHFFFAOYSA-N
XLogP3.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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-(1-ethylcyclopropyl)-2,2-dimethylpropan-1-amine
CID 130554169
1-ethyl-1-propan-2-ylcyclopropane
CID 22977902
1-ethyl-1-(2-methylpentan-3-yl)cyclobutane
CID 170720683
1-but-3-en-2-yl-1-ethylcyclopentane;propane
CID 145053026
[1-(1-ethylcyclopentyl)-2-methylpropyl]hydrazine
CID 105281723
N-[(1-propan-2-ylcyclohexyl)methyl]methanimine
CID 167558868
1-(1-ethylcyclohexyl)-N-methylethanamine
CID 142438459
1-(1-ethylcyclopropyl)prop-2-ene-1,2-diamine
CID 145401139
2-ethyl-1-(1-ethylcyclopentyl)butan-1-amine
CID 105013946
1-[(2R)-3,3-dimethylbutan-2-yl]cyclobutan-1-ol
CID 171752965
1-ethyl-1-(4,6,7-trimethyloct-4-en-2-yl)cyclopropane
CID 123800204
1,3-diethyl-3-propan-2-ylpyrrolidine
CID 131976816

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethylcyclopropyl)-2-methylbutan-2-yl]methanimine?
The IUPAC name of N-[3-(1-ethylcyclopropyl)-2-methylbutan-2-yl]methanimine (CID 123300900) is N-[3-(1-ethylcyclopropyl)-2-methylbutan-2-yl]methanimine.
What is the SMILES notation for N-[3-(1-ethylcyclopropyl)-2-methylbutan-2-yl]methanimine?
The canonical SMILES for N-[3-(1-ethylcyclopropyl)-2-methylbutan-2-yl]methanimine is C=NC(C)(C)C(C)C1(CC)CC1.
What is the InChIKey of N-[3-(1-ethylcyclopropyl)-2-methylbutan-2-yl]methanimine?
The InChIKey is DTOSXSILDUYPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-6-11(7-8-11)9(2)10(3,4)12-5/h9H,5-8H2,1-4H3.
What are the key properties of N-[3-(1-ethylcyclopropyl)-2-methylbutan-2-yl]methanimine?
N-[3-(1-ethylcyclopropyl)-2-methylbutan-2-yl]methanimine has a molecular weight of 167.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-ethylcyclopropyl)-2-methylbutan-2-yl]methanimine is sourced from PubChem (CID 123300900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).