cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide

C12H24N2O — CID 97051119

IUPACcis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide
SMILESCCCN(C)C(=O)[C@@H]1CCCCC[C@@H]1N
InChIInChI=1S/C12H24N2O/c1-3-9-14(2)12(15)10-7-5-4-6-8-11(10)13/h10-11H,3-9,13H2,1-2H3/t10-,11+/m1/s1
InChIKeyHTLDGZNTGDVFGG-MNOVXSKESA-N
MW212.34 g/mol
LogP1.76
Rot. Bonds3

About cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide

cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide (PubChem CID 97051119) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide
PubChem CID97051119
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Namecis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide
SMILESCCCN(C)C(=O)[C@@H]1CCCCC[C@@H]1N
InChIInChI=1S/C12H24N2O/c1-3-9-14(2)12(15)10-7-5-4-6-8-11(10)13/h10-11H,3-9,13H2,1-2H3/t10-,11+/m1/s1
InChIKeyHTLDGZNTGDVFGG-MNOVXSKESA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide (CID 97051119) is cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide is CCCN(C)C(=O)[C@@H]1CCCCC[C@@H]1N.
What is the InChIKey of cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide?
The InChIKey is HTLDGZNTGDVFGG-MNOVXSKESA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-9-14(2)12(15)10-7-5-4-6-8-11(10)13/h10-11H,3-9,13H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide?
cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide is sourced from PubChem (CID 97051119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).