(2S)-N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine

C10H19NO — CID 130367671

IUPAC(2S)-N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
SMILESC=CC[C@H](C)NC[C@@H]1CCCO1
InChIInChI=1S/C10H19NO/c1-3-5-9(2)11-8-10-6-4-7-12-10/h3,9-11H,1,4-8H2,2H3/t9-,10-/m0/s1
InChIKeyOWLHAWXNGKFANS-UWVGGRQHSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds5

About (2S)-N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine

(2S)-N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine (PubChem CID 130367671) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S)-N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine.

Molecular Properties

Compound Name(2S)-N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
PubChem CID130367671
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S)-N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
SMILESC=CC[C@H](C)NC[C@@H]1CCCO1
InChIInChI=1S/C10H19NO/c1-3-5-9(2)11-8-10-6-4-7-12-10/h3,9-11H,1,4-8H2,2H3/t9-,10-/m0/s1
InChIKeyOWLHAWXNGKFANS-UWVGGRQHSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine?
The IUPAC name of (2S)-N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine (CID 130367671) is (2S)-N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine.
What is the SMILES notation for (2S)-N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine?
The canonical SMILES for (2S)-N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine is C=CC[C@H](C)NC[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine?
The InChIKey is OWLHAWXNGKFANS-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-5-9(2)11-8-10-6-4-7-12-10/h3,9-11H,1,4-8H2,2H3/t9-,10-/m0/s1.
What are the key properties of (2S)-N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine?
(2S)-N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine is sourced from PubChem (CID 130367671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).