N-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine

C16H21N3 — CID 61492891

IUPACN-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCc1nccn1CCNc1cccc2c1CCCC2
InChIInChI=1S/C16H21N3/c1-13-17-9-11-19(13)12-10-18-16-8-4-6-14-5-2-3-7-15(14)16/h4,6,8-9,11,18H,2-3,5,7,10,12H2,1H3
InChIKeyJQUIKAKMTHJWGT-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.18
Rot. Bonds4

About N-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine

N-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 61492891) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID61492891
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCc1nccn1CCNc1cccc2c1CCCC2
InChIInChI=1S/C16H21N3/c1-13-17-9-11-19(13)12-10-18-16-8-4-6-14-5-2-3-7-15(14)16/h4,6,8-9,11,18H,2-3,5,7,10,12H2,1H3
InChIKeyJQUIKAKMTHJWGT-UHFFFAOYSA-N
XLogP3.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine (CID 61492891) is N-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine is Cc1nccn1CCNc1cccc2c1CCCC2.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is JQUIKAKMTHJWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13-17-9-11-19(13)12-10-18-16-8-4-6-14-5-2-3-7-15(14)16/h4,6,8-9,11,18H,2-3,5,7,10,12H2,1H3.
What are the key properties of N-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
N-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 61492891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).