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

C10H19NO — CID 166665828

IUPACN-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
SMILESC=CCC(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-AXDSSHIGSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds5

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

N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine (PubChem CID 166665828) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
PubChem CID166665828
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
SMILESC=CCC(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-AXDSSHIGSA-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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Related Compounds

2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine
CID 104856010
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
(2R)-1-methoxy-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
CID 28571154
3-(oxolan-2-ylmethylamino)butan-1-ol
CID 83177846
3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 43179200
N-(oxan-4-ylmethyl)pent-4-en-2-amine
CID 115685663
(2S)-N-(cyclopropylmethyl)pent-4-en-2-amine
CID 166665711
4-cyclopentyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 115705992
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine
CID 102897813
2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide
CID 43086819
1-methylsulfonyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 64630980
(2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine
CID 28879278

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine (CID 166665828) is N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine is C=CCC(C)NC[C@@H]1CCCO1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine?
The InChIKey is OWLHAWXNGKFANS-AXDSSHIGSA-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 N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine?
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 N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine is sourced from PubChem (CID 166665828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).