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

C16H21N3 — CID 61211277

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCn1ccnc1CCNC1CCc2ccccc2C1
InChIInChI=1S/C16H21N3/c1-19-11-10-18-16(19)8-9-17-15-7-6-13-4-2-3-5-14(13)12-15/h2-5,10-11,15,17H,6-9,12H2,1H3
InChIKeyXRNFQAKGVFUYJS-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.11
Rot. Bonds4

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

N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 61211277) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID61211277
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCn1ccnc1CCNC1CCc2ccccc2C1
InChIInChI=1S/C16H21N3/c1-19-11-10-18-16(19)8-9-17-15-7-6-13-4-2-3-5-14(13)12-15/h2-5,10-11,15,17H,6-9,12H2,1H3
InChIKeyXRNFQAKGVFUYJS-UHFFFAOYSA-N
XLogP2.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 61210136
N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60695151
7-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510431
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
N-methyl-3-(1-methylimidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-amine
CID 114530350
N-[2-(1-methylimidazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 61215276
4-[(1-methylimidazol-2-yl)methoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 55874723
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214727
3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine
CID 114531771
3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 64501340
1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
CID 81344994
1-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682234

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 61211277) is N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is Cn1ccnc1CCNC1CCc2ccccc2C1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is XRNFQAKGVFUYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19-11-10-18-16(19)8-9-17-15-7-6-13-4-2-3-5-14(13)12-15/h2-5,10-11,15,17H,6-9,12H2,1H3.
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 255.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 61211277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).