1-(oxolan-2-yl)-N-propylhex-4-yn-2-amine

C13H23NO — CID 62312178

IUPAC1-(oxolan-2-yl)-N-propylhex-4-yn-2-amine
SMILESCC#CCC(CC1CCCO1)NCCC
InChIInChI=1S/C13H23NO/c1-3-5-7-12(14-9-4-2)11-13-8-6-10-15-13/h12-14H,4,6-11H2,1-2H3
InChIKeyPFAYEHGIBXUPQI-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.34
Rot. Bonds6

About 1-(oxolan-2-yl)-N-propylhex-4-yn-2-amine

1-(oxolan-2-yl)-N-propylhex-4-yn-2-amine (PubChem CID 62312178) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-propylhex-4-yn-2-amine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-propylhex-4-yn-2-amine
PubChem CID62312178
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(oxolan-2-yl)-N-propylhex-4-yn-2-amine
SMILESCC#CCC(CC1CCCO1)NCCC
InChIInChI=1S/C13H23NO/c1-3-5-7-12(14-9-4-2)11-13-8-6-10-15-13/h12-14H,4,6-11H2,1-2H3
InChIKeyPFAYEHGIBXUPQI-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(oxan-2-yl)hept-5-yn-2-amine
CID 104807453
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
5-methyl-1-(oxan-2-yl)-N-propylhex-5-en-2-amine
CID 114475869
N-ethyl-1-(oxolan-2-yl)butan-2-amine
CID 60820573
1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine
CID 60820403
N-methyl-1-(oxan-2-yl)hept-5-yn-2-amine
CID 104807451
1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
1-cyclopentyl-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 104993245
1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine
CID 65164444
1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164220
4-(oxolan-2-yl)-N-propyl-1-(thian-4-yl)butan-2-amine
CID 105156823
1-cyclopentyl-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 62601705

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-propylhex-4-yn-2-amine?
The IUPAC name of 1-(oxolan-2-yl)-N-propylhex-4-yn-2-amine (CID 62312178) is 1-(oxolan-2-yl)-N-propylhex-4-yn-2-amine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-propylhex-4-yn-2-amine?
The canonical SMILES for 1-(oxolan-2-yl)-N-propylhex-4-yn-2-amine is CC#CCC(CC1CCCO1)NCCC.
What is the InChIKey of 1-(oxolan-2-yl)-N-propylhex-4-yn-2-amine?
The InChIKey is PFAYEHGIBXUPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-7-12(14-9-4-2)11-13-8-6-10-15-13/h12-14H,4,6-11H2,1-2H3.
What are the key properties of 1-(oxolan-2-yl)-N-propylhex-4-yn-2-amine?
1-(oxolan-2-yl)-N-propylhex-4-yn-2-amine has a molecular weight of 209.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-propylhex-4-yn-2-amine is sourced from PubChem (CID 62312178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).