N-[(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine

C18H35N — CID 104992139

IUPACN-[(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(C1CCCC(C)C1)C1C(C)(C)C1(C)C
InChIInChI=1S/C18H35N/c1-7-11-19-15(14-10-8-9-13(2)12-14)16-17(3,4)18(16,5)6/h13-16,19H,7-12H2,1-6H3
InChIKeyNJANRYIQDMMERD-UHFFFAOYSA-N
MW265.48 g/mol
LogP4.86
Rot. Bonds5

About N-[(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine

N-[(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine (PubChem CID 104992139) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-[(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
PubChem CID104992139
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-[(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(C1CCCC(C)C1)C1C(C)(C)C1(C)C
InChIInChI=1S/C18H35N/c1-7-11-19-15(14-10-8-9-13(2)12-14)16-17(3,4)18(16,5)6/h13-16,19H,7-12H2,1-6H3
InChIKeyNJANRYIQDMMERD-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[7-bicyclo[4.1.0]heptanyl-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104991950
N-[(3-methylcyclohexyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 104992048
N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 79908691
N-[cyclobutyl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105049594
N-[cyclopentyl-(3-methylcyclohexyl)methyl]ethanamine
CID 63415340
N-[cyclopentyl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115779057
(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115808331
N-[(3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine
CID 107189191
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
N-[(3,5-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 64729509
N-[(3-methylcyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79910791
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine (CID 104992139) is N-[(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine is CCCNC(C1CCCC(C)C1)C1C(C)(C)C1(C)C.
What is the InChIKey of N-[(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The InChIKey is NJANRYIQDMMERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-7-11-19-15(14-10-8-9-13(2)12-14)16-17(3,4)18(16,5)6/h13-16,19H,7-12H2,1-6H3.
What are the key properties of N-[(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
N-[(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 104992139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).