7-(oxolan-2-yl)-N-propylhept-3-en-1-amine

C14H27NO — CID 79592517

IUPAC7-(oxolan-2-yl)-N-propylhept-3-en-1-amine
SMILESCCCNCCC=CCCCC1CCCO1
InChIInChI=1S/C14H27NO/c1-2-11-15-12-7-5-3-4-6-9-14-10-8-13-16-14/h3,5,14-15H,2,4,6-13H2,1H3
InChIKeyHKBOUAHPRMDRDO-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds9

About 7-(oxolan-2-yl)-N-propylhept-3-en-1-amine

7-(oxolan-2-yl)-N-propylhept-3-en-1-amine (PubChem CID 79592517) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 7-(oxolan-2-yl)-N-propylhept-3-en-1-amine.

Molecular Properties

Compound Name7-(oxolan-2-yl)-N-propylhept-3-en-1-amine
PubChem CID79592517
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name7-(oxolan-2-yl)-N-propylhept-3-en-1-amine
SMILESCCCNCCC=CCCCC1CCCO1
InChIInChI=1S/C14H27NO/c1-2-11-15-12-7-5-3-4-6-9-14-10-8-13-16-14/h3,5,14-15H,2,4,6-13H2,1H3
InChIKeyHKBOUAHPRMDRDO-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-7-(oxolan-2-yl)hept-3-en-1-amine
CID 79598771
4-methyl-5-(oxolan-2-yl)-N-propylpent-3-en-1-amine
CID 79598732
N-[2-(oxolan-2-yl)ethyl]nonan-1-amine
CID 61039120
2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65165708
N-[[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 65161350
2-tetradecyloxolane
CID 10683364
N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65164076
N-[[2-[2-(oxolan-2-yl)ethyl]cyclopentyl]methyl]propan-1-amine
CID 81033878
N-(3-iodopropyl)-3-(oxolan-2-yl)propan-1-amine
CID 114503922
2-hexyloxolane;oxolane
CID 173130151
2-(oxolan-2-yl)-N-(2-propoxyethyl)ethanamine
CID 106451738
2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine
CID 102640931

Frequently Asked Questions

What is the IUPAC name of 7-(oxolan-2-yl)-N-propylhept-3-en-1-amine?
The IUPAC name of 7-(oxolan-2-yl)-N-propylhept-3-en-1-amine (CID 79592517) is 7-(oxolan-2-yl)-N-propylhept-3-en-1-amine.
What is the SMILES notation for 7-(oxolan-2-yl)-N-propylhept-3-en-1-amine?
The canonical SMILES for 7-(oxolan-2-yl)-N-propylhept-3-en-1-amine is CCCNCCC=CCCCC1CCCO1.
What is the InChIKey of 7-(oxolan-2-yl)-N-propylhept-3-en-1-amine?
The InChIKey is HKBOUAHPRMDRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-11-15-12-7-5-3-4-6-9-14-10-8-13-16-14/h3,5,14-15H,2,4,6-13H2,1H3.
What are the key properties of 7-(oxolan-2-yl)-N-propylhept-3-en-1-amine?
7-(oxolan-2-yl)-N-propylhept-3-en-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxolan-2-yl)-N-propylhept-3-en-1-amine is sourced from PubChem (CID 79592517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).