(1R)-1-cycloheptyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine

C14H25N3 — CID 81391849

IUPAC(1R)-1-cycloheptyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CN[C@H](C)C2CCCCCC2)[nH]1
InChIInChI=1S/C14H25N3/c1-11(13-7-5-3-4-6-8-13)15-9-14-10-16-12(2)17-14/h10-11,13,15H,3-9H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyKHASJVDFVAMUMW-LLVKDONJSA-N
MW235.37 g/mol
LogP3.17
Rot. Bonds4

About (1R)-1-cycloheptyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine

(1R)-1-cycloheptyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine (PubChem CID 81391849) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is (1R)-1-cycloheptyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cycloheptyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
PubChem CID81391849
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name(1R)-1-cycloheptyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CN[C@H](C)C2CCCCCC2)[nH]1
InChIInChI=1S/C14H25N3/c1-11(13-7-5-3-4-6-8-13)15-9-14-10-16-12(2)17-14/h10-11,13,15H,3-9H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyKHASJVDFVAMUMW-LLVKDONJSA-N
XLogP3.17
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclopentanamine
CID 62741574
1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62741804
(1S)-1-cyclohexyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
CID 81387419
(1R)-1-cycloheptyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 113449658
1-cyclohexyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
CID 62742495
(1R)-1-cyclohexyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 94912990
N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 80611681
(1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81391282
2-[(2-methyl-1H-imidazol-5-yl)methylamino]propane-1,3-diol
CID 65312594
(1R)-1-cyclopentyl-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 81396209
2-[(2-methyl-1H-imidazol-5-yl)methylamino]propanoic acid
CID 62743108
(1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81384108

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cycloheptyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-cycloheptyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine (CID 81391849) is (1R)-1-cycloheptyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-cycloheptyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-cycloheptyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine is Cc1ncc(CN[C@H](C)C2CCCCCC2)[nH]1.
What is the InChIKey of (1R)-1-cycloheptyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
The InChIKey is KHASJVDFVAMUMW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25N3/c1-11(13-7-5-3-4-6-8-13)15-9-14-10-16-12(2)17-14/h10-11,13,15H,3-9H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (1R)-1-cycloheptyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
(1R)-1-cycloheptyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cycloheptyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 81391849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).