N-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine

C17H23N3 — CID 66132713

IUPACN-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCCCn1cncc1CNc1cccc2c1CCCC2
InChIInChI=1S/C17H23N3/c1-2-10-20-13-18-11-15(20)12-19-17-9-5-7-14-6-3-4-8-16(14)17/h5,7,9,11,13,19H,2-4,6,8,10,12H2,1H3
InChIKeyZUKXPTRRFWEPPA-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.78
Rot. Bonds5

About N-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine

N-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 66132713) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID66132713
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCCCn1cncc1CNc1cccc2c1CCCC2
InChIInChI=1S/C17H23N3/c1-2-10-20-13-18-11-15(20)12-19-17-9-5-7-14-6-3-4-8-16(14)17/h5,7,9,11,13,19H,2-4,6,8,10,12H2,1H3
InChIKeyZUKXPTRRFWEPPA-UHFFFAOYSA-N
XLogP3.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-propan-2-ylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 66130072
2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66135192
2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66133336
N-[(2-methylpyrazol-3-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43663157
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134768
N-[(3-propylimidazol-4-yl)methyl]quinolin-8-amine
CID 66135184
N-[(1-methylpyrazol-3-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 79478733
2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66130936
2-(difluoromethylsulfanyl)-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66133125
5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132522
N,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66131145
8-methyl-N-[(3-propylimidazol-4-yl)methyl]quinolin-5-amine
CID 66130149

Frequently Asked Questions

What is the IUPAC name of N-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine (CID 66132713) is N-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine is CCCn1cncc1CNc1cccc2c1CCCC2.
What is the InChIKey of N-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is ZUKXPTRRFWEPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-10-20-13-18-11-15(20)12-19-17-9-5-7-14-6-3-4-8-16(14)17/h5,7,9,11,13,19H,2-4,6,8,10,12H2,1H3.
What are the key properties of N-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
N-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 66132713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).