N-[(3-propan-2-ylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine

C17H23N3 — CID 66130072

IUPACN-[(3-propan-2-ylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCC(C)n1cncc1CNc1cccc2c1CCCC2
InChIInChI=1S/C17H23N3/c1-13(2)20-12-18-10-15(20)11-19-17-9-5-7-14-6-3-4-8-16(14)17/h5,7,9-10,12-13,19H,3-4,6,8,11H2,1-2H3
InChIKeyCXSNUMQVLPEUSS-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.95
Rot. Bonds4

About N-[(3-propan-2-ylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine

N-[(3-propan-2-ylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 66130072) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(3-propan-2-ylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[(3-propan-2-ylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID66130072
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(3-propan-2-ylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCC(C)n1cncc1CNc1cccc2c1CCCC2
InChIInChI=1S/C17H23N3/c1-13(2)20-12-18-10-15(20)11-19-17-9-5-7-14-6-3-4-8-16(14)17/h5,7,9-10,12-13,19H,3-4,6,8,11H2,1-2H3
InChIKeyCXSNUMQVLPEUSS-UHFFFAOYSA-N
XLogP3.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-ylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[(3-propan-2-ylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine (CID 66130072) is N-[(3-propan-2-ylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[(3-propan-2-ylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[(3-propan-2-ylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine is CC(C)n1cncc1CNc1cccc2c1CCCC2.
What is the InChIKey of N-[(3-propan-2-ylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is CXSNUMQVLPEUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13(2)20-12-18-10-15(20)11-19-17-9-5-7-14-6-3-4-8-16(14)17/h5,7,9-10,12-13,19H,3-4,6,8,11H2,1-2H3.
What are the key properties of N-[(3-propan-2-ylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
N-[(3-propan-2-ylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-ylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 66130072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).