[(1R,2S)-2-pentan-3-ylcyclopropyl]methanamine

C9H19N — CID 94557755

IUPAC[(1R,2S)-2-pentan-3-ylcyclopropyl]methanamine
SMILESCCC(CC)[C@@H]1C[C@H]1CN
InChIInChI=1S/C9H19N/c1-3-7(4-2)9-5-8(9)6-10/h7-9H,3-6,10H2,1-2H3/t8-,9-/m0/s1
InChIKeyCMLWJHXTXLSEGX-IUCAKERBSA-N
MW141.26 g/mol
LogP2.02
Rot. Bonds4

About [(1R,2S)-2-pentan-3-ylcyclopropyl]methanamine

[(1R,2S)-2-pentan-3-ylcyclopropyl]methanamine (PubChem CID 94557755) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is [(1R,2S)-2-pentan-3-ylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,2S)-2-pentan-3-ylcyclopropyl]methanamine
PubChem CID94557755
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name[(1R,2S)-2-pentan-3-ylcyclopropyl]methanamine
SMILESCCC(CC)[C@@H]1C[C@H]1CN
InChIInChI=1S/C9H19N/c1-3-7(4-2)9-5-8(9)6-10/h7-9H,3-6,10H2,1-2H3/t8-,9-/m0/s1
InChIKeyCMLWJHXTXLSEGX-IUCAKERBSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-pentan-3-ylcyclopropyl]methanamine?
The IUPAC name of [(1R,2S)-2-pentan-3-ylcyclopropyl]methanamine (CID 94557755) is [(1R,2S)-2-pentan-3-ylcyclopropyl]methanamine.
What is the SMILES notation for [(1R,2S)-2-pentan-3-ylcyclopropyl]methanamine?
The canonical SMILES for [(1R,2S)-2-pentan-3-ylcyclopropyl]methanamine is CCC(CC)[C@@H]1C[C@H]1CN.
What is the InChIKey of [(1R,2S)-2-pentan-3-ylcyclopropyl]methanamine?
The InChIKey is CMLWJHXTXLSEGX-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19N/c1-3-7(4-2)9-5-8(9)6-10/h7-9H,3-6,10H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of [(1R,2S)-2-pentan-3-ylcyclopropyl]methanamine?
[(1R,2S)-2-pentan-3-ylcyclopropyl]methanamine has a molecular weight of 141.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-pentan-3-ylcyclopropyl]methanamine is sourced from PubChem (CID 94557755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).