(1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine

C7H15N — CID 90067113

IUPAC(1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine
SMILESC[C@H](N)[C@@H]1CC1(C)C
InChIInChI=1S/C7H15N/c1-5(8)6-4-7(6,2)3/h5-6H,4,8H2,1-3H3/t5-,6-/m0/s1
InChIKeyQQSDGHPFTKPPDJ-WDSKDSINSA-N
MW113.20 g/mol
LogP1.38
Rot. Bonds1

About (1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine

(1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine (PubChem CID 90067113) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine
PubChem CID90067113
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine
SMILESC[C@H](N)[C@@H]1CC1(C)C
InChIInChI=1S/C7H15N/c1-5(8)6-4-7(6,2)3/h5-6H,4,8H2,1-3H3/t5-,6-/m0/s1
InChIKeyQQSDGHPFTKPPDJ-WDSKDSINSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine?
The IUPAC name of (1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine (CID 90067113) is (1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine.
What is the SMILES notation for (1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine?
The canonical SMILES for (1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine is C[C@H](N)[C@@H]1CC1(C)C.
What is the InChIKey of (1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine?
The InChIKey is QQSDGHPFTKPPDJ-WDSKDSINSA-N. The full InChI is InChI=1S/C7H15N/c1-5(8)6-4-7(6,2)3/h5-6H,4,8H2,1-3H3/t5-,6-/m0/s1.
What are the key properties of (1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine?
(1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine has a molecular weight of 113.20 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine is sourced from PubChem (CID 90067113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).