N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine

C18H35N — CID 80609458

IUPACN-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
SMILESCCCNC(C1CCCCCCC1)C1CCCCC1
InChIInChI=1S/C18H35N/c1-2-15-19-18(17-13-9-6-10-14-17)16-11-7-4-3-5-8-12-16/h16-19H,2-15H2,1H3
InChIKeyDPPDLAGMEQACSG-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.30
Rot. Bonds5

About N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine

N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine (PubChem CID 80609458) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
PubChem CID80609458
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
SMILESCCCNC(C1CCCCCCC1)C1CCCCC1
InChIInChI=1S/C18H35N/c1-2-15-19-18(17-13-9-6-10-14-17)16-11-7-4-3-5-8-12-16/h16-19H,2-15H2,1H3
InChIKeyDPPDLAGMEQACSG-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine
CID 65412906
N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 65399657
N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 64738638
N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 64986298
N-[cyclohexyl-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114981755
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
N-[cycloheptyl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 105027825
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79907861
N-[cyclohexyl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]propan-1-amine
CID 79974439

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine (CID 80609458) is N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine is CCCNC(C1CCCCCCC1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine?
The InChIKey is DPPDLAGMEQACSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-2-15-19-18(17-13-9-6-10-14-17)16-11-7-4-3-5-8-12-16/h16-19H,2-15H2,1H3.
What are the key properties of N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine?
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine is sourced from PubChem (CID 80609458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).