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

C18H25N3 — CID 63974331

IUPACN-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1C)C1CCCc2ccccc21
InChIInChI=1S/C18H25N3/c1-3-11-19-17(18-20-12-13-21(18)2)16-10-6-8-14-7-4-5-9-15(14)16/h4-5,7,9,12-13,16-17,19H,3,6,8,10-11H2,1-2H3
InChIKeyBDSQOAWJKLPFJQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.58
Rot. Bonds5

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

N-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine (PubChem CID 63974331) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine
PubChem CID63974331
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1C)C1CCCc2ccccc21
InChIInChI=1S/C18H25N3/c1-3-11-19-17(18-20-12-13-21(18)2)16-10-6-8-14-7-4-5-9-15(14)16/h4-5,7,9,12-13,16-17,19H,3,6,8,10-11H2,1-2H3
InChIKeyBDSQOAWJKLPFJQ-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 64984371
N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 65399979
(1-propylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 63975228
2,2-dimethyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 55188342
N-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 65395611
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine
CID 55188345
N-[cyclohexyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine
CID 63418251
N-[(4-ethylmorpholin-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 79668962
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 115860005
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530248
N-[2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methyl]propan-1-amine
CID 65404182
N-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115860068

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine (CID 63974331) is N-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine is CCCNC(c1nccn1C)C1CCCc2ccccc21.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine?
The InChIKey is BDSQOAWJKLPFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-11-19-17(18-20-12-13-21(18)2)16-10-6-8-14-7-4-5-9-15(14)16/h4-5,7,9,12-13,16-17,19H,3,6,8,10-11H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine?
N-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine is sourced from PubChem (CID 63974331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).