2,3-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine

C17H25N5 — CID 43825842

IUPAC2,3-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine
SMILESCC(NC1CCCC(C)C1C)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H25N5/c1-12-6-4-9-17(13(12)2)19-14(3)15-7-5-8-16(10-15)22-11-18-20-21-22/h5,7-8,10-14,17,19H,4,6,9H2,1-3H3
InChIKeyAOVXRAQNMXELNE-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.14
Rot. Bonds4

About 2,3-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine

2,3-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine (PubChem CID 43825842) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine
PubChem CID43825842
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name2,3-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine
SMILESCC(NC1CCCC(C)C1C)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H25N5/c1-12-6-4-9-17(13(12)2)19-14(3)15-7-5-8-16(10-15)22-11-18-20-21-22/h5,7-8,10-14,17,19H,4,6,9H2,1-3H3
InChIKeyAOVXRAQNMXELNE-UHFFFAOYSA-N
XLogP3.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine
CID 43194972
N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81365854
N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81366645
3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]piperidin-2-one
CID 62093394
N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide
CID 28935459
2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61166998
1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]azetidin-3-amine
CID 65244795
N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210752
N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103903267
N-methyl-1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]piperidin-3-amine
CID 62536344
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 43101467
2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81363310

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine (CID 43825842) is 2,3-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine is CC(NC1CCCC(C)C1C)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 2,3-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine?
The InChIKey is AOVXRAQNMXELNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-12-6-4-9-17(13(12)2)19-14(3)15-7-5-8-16(10-15)22-11-18-20-21-22/h5,7-8,10-14,17,19H,4,6,9H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine?
2,3-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine has a molecular weight of 299.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 43825842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).