N-[2-(3,3,5-trimethylcyclohexyl)oxypentyl]cyclopropanamine

C17H33NO — CID 83044983

IUPACN-[2-(3,3,5-trimethylcyclohexyl)oxypentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C17H33NO/c1-5-6-15(12-18-14-7-8-14)19-16-9-13(2)10-17(3,4)11-16/h13-16,18H,5-12H2,1-4H3
InChIKeyRWHXPQVHVMICKB-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.14
Rot. Bonds7

About N-[2-(3,3,5-trimethylcyclohexyl)oxypentyl]cyclopropanamine

N-[2-(3,3,5-trimethylcyclohexyl)oxypentyl]cyclopropanamine (PubChem CID 83044983) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[2-(3,3,5-trimethylcyclohexyl)oxypentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3,3,5-trimethylcyclohexyl)oxypentyl]cyclopropanamine
PubChem CID83044983
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-[2-(3,3,5-trimethylcyclohexyl)oxypentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C17H33NO/c1-5-6-15(12-18-14-7-8-14)19-16-9-13(2)10-17(3,4)11-16/h13-16,18H,5-12H2,1-4H3
InChIKeyRWHXPQVHVMICKB-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(3,3,5-trimethylcyclohexyl)oxypentan-1-amine
CID 83044629
N-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]cyclopropanamine
CID 63492299
N-ethyl-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
CID 62456955
3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
CID 103227873
4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine
CID 64708543
N-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
CID 66357222
3-methyl-N-propan-2-yl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
CID 63492137
(2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol
CID 103884021
2-(cyclopropylamino)-4-(3,3,5-trimethylcyclohexyl)oxybutan-1-ol
CID 64802320
3-(3,3,5-trimethylcyclohexyl)oxypentanimidamide
CID 43368865
N-(2-pentoxypentyl)cyclopropanamine
CID 83045907
3-amino-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-ol
CID 64899608

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3,5-trimethylcyclohexyl)oxypentyl]cyclopropanamine?
The IUPAC name of N-[2-(3,3,5-trimethylcyclohexyl)oxypentyl]cyclopropanamine (CID 83044983) is N-[2-(3,3,5-trimethylcyclohexyl)oxypentyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3,3,5-trimethylcyclohexyl)oxypentyl]cyclopropanamine?
The canonical SMILES for N-[2-(3,3,5-trimethylcyclohexyl)oxypentyl]cyclopropanamine is CCCC(CNC1CC1)OC1CC(C)CC(C)(C)C1.
What is the InChIKey of N-[2-(3,3,5-trimethylcyclohexyl)oxypentyl]cyclopropanamine?
The InChIKey is RWHXPQVHVMICKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-5-6-15(12-18-14-7-8-14)19-16-9-13(2)10-17(3,4)11-16/h13-16,18H,5-12H2,1-4H3.
What are the key properties of N-[2-(3,3,5-trimethylcyclohexyl)oxypentyl]cyclopropanamine?
N-[2-(3,3,5-trimethylcyclohexyl)oxypentyl]cyclopropanamine has a molecular weight of 267.46 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3,5-trimethylcyclohexyl)oxypentyl]cyclopropanamine is sourced from PubChem (CID 83044983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).