N-[cyclohexyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine

C20H31N — CID 63418251

IUPACN-[cyclohexyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCCC1)C1CCCc2ccccc21
InChIInChI=1S/C20H31N/c1-2-15-21-20(17-10-4-3-5-11-17)19-14-8-12-16-9-6-7-13-18(16)19/h6-7,9,13,17,19-21H,2-5,8,10-12,14-15H2,1H3
InChIKeyAWBYGONVTYSGCR-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.05
Rot. Bonds5

About N-[cyclohexyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine

N-[cyclohexyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine (PubChem CID 63418251) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is N-[cyclohexyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine
PubChem CID63418251
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC NameN-[cyclohexyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCCC1)C1CCCc2ccccc21
InChIInChI=1S/C20H31N/c1-2-15-21-20(17-10-4-3-5-11-17)19-14-8-12-16-9-6-7-13-18(16)19/h6-7,9,13,17,19-21H,2-5,8,10-12,14-15H2,1H3
InChIKeyAWBYGONVTYSGCR-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine
CID 64774222
2,2-dimethyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 55188342
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine
CID 55188345
2-cyclopentyl-N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63418635
4-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-4-en-1-amine
CID 114474715
N-[cycloheptyl(2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 82932855
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
CID 55241508
N-ethyl-2-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 55175096
N-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine
CID 63974331
1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-N-propylbutan-1-amine
CID 65403398
(1R)-1-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81384440

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine (CID 63418251) is N-[cyclohexyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine is CCCNC(C1CCCCC1)C1CCCc2ccccc21.
What is the InChIKey of N-[cyclohexyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine?
The InChIKey is AWBYGONVTYSGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-2-15-21-20(17-10-4-3-5-11-17)19-14-8-12-16-9-6-7-13-18(16)19/h6-7,9,13,17,19-21H,2-5,8,10-12,14-15H2,1H3.
What are the key properties of N-[cyclohexyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine?
N-[cyclohexyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine has a molecular weight of 285.47 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine is sourced from PubChem (CID 63418251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).