(1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine

C15H27N3 — CID 104587715

IUPAC(1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
SMILESCCn1nccc1CN[C@@H](C)C1CCCCCC1
InChIInChI=1S/C15H27N3/c1-3-18-15(10-11-17-18)12-16-13(2)14-8-6-4-5-7-9-14/h10-11,13-14,16H,3-9,12H2,1-2H3/t13-/m0/s1
InChIKeyZIEKRZAKNXYZOI-ZDUSSCGKSA-N
MW249.40 g/mol
LogP3.35
Rot. Bonds5

About (1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine

(1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine (PubChem CID 104587715) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
PubChem CID104587715
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
SMILESCCn1nccc1CN[C@@H](C)C1CCCCCC1
InChIInChI=1S/C15H27N3/c1-3-18-15(10-11-17-18)12-16-13(2)14-8-6-4-5-7-9-14/h10-11,13-14,16H,3-9,12H2,1-2H3/t13-/m0/s1
InChIKeyZIEKRZAKNXYZOI-ZDUSSCGKSA-N
XLogP3.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 104939445
(2R)-N-[(2-ethylpyrazol-3-yl)methyl]-3-methylbutan-2-amine
CID 97358257
(1S)-1-cyclopentyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81395391
3-cyclopropyl-3-[(2-ethylpyrazol-3-yl)methylamino]propan-1-ol
CID 115762505
1-cyclopentyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
CID 66445595
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 115699091
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol
CID 115762526
N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine
CID 114555701
(1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81393534
1-cyclopropyl-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)ethanamine
CID 115976238
2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115762300

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine (CID 104587715) is (1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine is CCn1nccc1CN[C@@H](C)C1CCCCCC1.
What is the InChIKey of (1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is ZIEKRZAKNXYZOI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-18-15(10-11-17-18)12-16-13(2)14-8-6-4-5-7-9-14/h10-11,13-14,16H,3-9,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine?
(1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 104587715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).