(1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine

C14H23N3 — CID 81391282

IUPAC(1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine
SMILESC[C@H](NCc1cncnc1)C1CCCCCC1
InChIInChI=1S/C14H23N3/c1-12(14-6-4-2-3-5-7-14)17-10-13-8-15-11-16-9-13/h8-9,11-12,14,17H,2-7,10H2,1H3/t12-/m0/s1
InChIKeyCNZHZLUXOBGHAA-LBPRGKRZSA-N
MW233.36 g/mol
LogP2.93
Rot. Bonds4

About (1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine

(1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine (PubChem CID 81391282) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine
PubChem CID81391282
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine
SMILESC[C@H](NCc1cncnc1)C1CCCCCC1
InChIInChI=1S/C14H23N3/c1-12(14-6-4-2-3-5-7-14)17-10-13-8-15-11-16-9-13/h8-9,11-12,14,17H,2-7,10H2,1H3/t12-/m0/s1
InChIKeyCNZHZLUXOBGHAA-LBPRGKRZSA-N
XLogP2.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880979
(1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine
CID 81384480
(1S)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580020
(1R)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580046
(1S)-1-cyclopentyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880981
(1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81387813
(1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81391425
(1R)-1-cyclohexyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 94912990
(1R)-1-cycloheptyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 113449658
(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol
CID 62405183
(1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 105403256

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine (CID 81391282) is (1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine is C[C@H](NCc1cncnc1)C1CCCCCC1.
What is the InChIKey of (1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine?
The InChIKey is CNZHZLUXOBGHAA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3/c1-12(14-6-4-2-3-5-7-14)17-10-13-8-15-11-16-9-13/h8-9,11-12,14,17H,2-7,10H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine?
(1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine is sourced from PubChem (CID 81391282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).