trans-(1R,2R)-2-aminocycloheptane-1-carboxamide

C8H16N2O — CID 95970217

IUPACtrans-(1R,2R)-2-aminocycloheptane-1-carboxamide
SMILESNC(=O)[C@@H]1CCCCC[C@H]1N
InChIInChI=1S/C8H16N2O/c9-7-5-3-1-2-4-6(7)8(10)11/h6-7H,1-5,9H2,(H2,10,11)/t6-,7-/m1/s1
InChIKeyHZCQRNAKHGZSIY-RNFRBKRXSA-N
MW156.23 g/mol
LogP0.38
Rot. Bonds1

About trans-(1R,2R)-2-aminocycloheptane-1-carboxamide

trans-(1R,2R)-2-aminocycloheptane-1-carboxamide (PubChem CID 95970217) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is trans-(1R,2R)-2-aminocycloheptane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-aminocycloheptane-1-carboxamide
PubChem CID95970217
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Nametrans-(1R,2R)-2-aminocycloheptane-1-carboxamide
SMILESNC(=O)[C@@H]1CCCCC[C@H]1N
InChIInChI=1S/C8H16N2O/c9-7-5-3-1-2-4-6(7)8(10)11/h6-7H,1-5,9H2,(H2,10,11)/t6-,7-/m1/s1
InChIKeyHZCQRNAKHGZSIY-RNFRBKRXSA-N
XLogP0.38
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-aminocycloheptane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-aminocycloheptane-1-carboxamide (CID 95970217) is trans-(1R,2R)-2-aminocycloheptane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-aminocycloheptane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-aminocycloheptane-1-carboxamide is NC(=O)[C@@H]1CCCCC[C@H]1N.
What is the InChIKey of trans-(1R,2R)-2-aminocycloheptane-1-carboxamide?
The InChIKey is HZCQRNAKHGZSIY-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H16N2O/c9-7-5-3-1-2-4-6(7)8(10)11/h6-7H,1-5,9H2,(H2,10,11)/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-2-aminocycloheptane-1-carboxamide?
trans-(1R,2R)-2-aminocycloheptane-1-carboxamide has a molecular weight of 156.23 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-aminocycloheptane-1-carboxamide is sourced from PubChem (CID 95970217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).