trans-(1R,2S)-2-pentan-3-ylcyclopropan-1-amine

C8H17N — CID 94397810

IUPACtrans-(1R,2S)-2-pentan-3-ylcyclopropan-1-amine
SMILESCCC(CC)[C@@H]1C[C@H]1N
InChIInChI=1S/C8H17N/c1-3-6(4-2)7-5-8(7)9/h6-8H,3-5,9H2,1-2H3/t7-,8+/m0/s1
InChIKeyGCDUVENHVDKABM-JGVFFNPUSA-N
MW127.23 g/mol
LogP1.77
Rot. Bonds3

About trans-(1R,2S)-2-pentan-3-ylcyclopropan-1-amine

trans-(1R,2S)-2-pentan-3-ylcyclopropan-1-amine (PubChem CID 94397810) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is trans-(1R,2S)-2-pentan-3-ylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-pentan-3-ylcyclopropan-1-amine
PubChem CID94397810
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Nametrans-(1R,2S)-2-pentan-3-ylcyclopropan-1-amine
SMILESCCC(CC)[C@@H]1C[C@H]1N
InChIInChI=1S/C8H17N/c1-3-6(4-2)7-5-8(7)9/h6-8H,3-5,9H2,1-2H3/t7-,8+/m0/s1
InChIKeyGCDUVENHVDKABM-JGVFFNPUSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-pentan-3-ylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-pentan-3-ylcyclopropan-1-amine (CID 94397810) is trans-(1R,2S)-2-pentan-3-ylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-pentan-3-ylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-pentan-3-ylcyclopropan-1-amine is CCC(CC)[C@@H]1C[C@H]1N.
What is the InChIKey of trans-(1R,2S)-2-pentan-3-ylcyclopropan-1-amine?
The InChIKey is GCDUVENHVDKABM-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17N/c1-3-6(4-2)7-5-8(7)9/h6-8H,3-5,9H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of trans-(1R,2S)-2-pentan-3-ylcyclopropan-1-amine?
trans-(1R,2S)-2-pentan-3-ylcyclopropan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-pentan-3-ylcyclopropan-1-amine is sourced from PubChem (CID 94397810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).