N-[cyclohexyl(isoquinolin-1-yl)methyl]propan-1-amine

C19H26N2 — CID 63948456

IUPACN-[cyclohexyl(isoquinolin-1-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccc2ccccc12)C1CCCCC1
InChIInChI=1S/C19H26N2/c1-2-13-20-18(16-9-4-3-5-10-16)19-17-11-7-6-8-15(17)12-14-21-19/h6-8,11-12,14,16,18,20H,2-5,9-10,13H2,1H3
InChIKeyDBQSMPLZWXDRFQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.86
Rot. Bonds5

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

N-[cyclohexyl(isoquinolin-1-yl)methyl]propan-1-amine (PubChem CID 63948456) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[cyclohexyl(isoquinolin-1-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl(isoquinolin-1-yl)methyl]propan-1-amine
PubChem CID63948456
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[cyclohexyl(isoquinolin-1-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccc2ccccc12)C1CCCCC1
InChIInChI=1S/C19H26N2/c1-2-13-20-18(16-9-4-3-5-10-16)19-17-11-7-6-8-15(17)12-14-21-19/h6-8,11-12,14,16,18,20H,2-5,9-10,13H2,1H3
InChIKeyDBQSMPLZWXDRFQ-UHFFFAOYSA-N
XLogP4.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cycloheptyl-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 82932311
N-[cyclohexyl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 104515379
1-isoquinolin-1-yl-N-propylpropan-1-amine
CID 63948250
N-[cyclohexyl(quinolin-6-yl)methyl]propan-1-amine
CID 63095807
[(2-ethylcyclohexyl)-isoquinolin-1-ylmethyl]hydrazine
CID 105220614
N-[cyclopentyl(naphthalen-2-yl)methyl]propan-1-amine
CID 63416906
N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105080054
N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine
CID 105027903
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
CID 81154118
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
N-[cyclopentyl(naphthalen-1-yl)methyl]ethanamine
CID 55187374

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(isoquinolin-1-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexyl(isoquinolin-1-yl)methyl]propan-1-amine (CID 63948456) is N-[cyclohexyl(isoquinolin-1-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexyl(isoquinolin-1-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexyl(isoquinolin-1-yl)methyl]propan-1-amine is CCCNC(c1nccc2ccccc12)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(isoquinolin-1-yl)methyl]propan-1-amine?
The InChIKey is DBQSMPLZWXDRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-2-13-20-18(16-9-4-3-5-10-16)19-17-11-7-6-8-15(17)12-14-21-19/h6-8,11-12,14,16,18,20H,2-5,9-10,13H2,1H3.
What are the key properties of N-[cyclohexyl(isoquinolin-1-yl)methyl]propan-1-amine?
N-[cyclohexyl(isoquinolin-1-yl)methyl]propan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(isoquinolin-1-yl)methyl]propan-1-amine is sourced from PubChem (CID 63948456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).