N-[1-(oxan-4-yl)ethyl]pent-4-en-2-amine

C12H23NO — CID 115890310

IUPACN-[1-(oxan-4-yl)ethyl]pent-4-en-2-amine
SMILESC=CCC(C)NC(C)C1CCOCC1
InChIInChI=1S/C12H23NO/c1-4-5-10(2)13-11(3)12-6-8-14-9-7-12/h4,10-13H,1,5-9H2,2-3H3
InChIKeyNHCDVXPZGSTWJX-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds5

About N-[1-(oxan-4-yl)ethyl]pent-4-en-2-amine

N-[1-(oxan-4-yl)ethyl]pent-4-en-2-amine (PubChem CID 115890310) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)ethyl]pent-4-en-2-amine.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)ethyl]pent-4-en-2-amine
PubChem CID115890310
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[1-(oxan-4-yl)ethyl]pent-4-en-2-amine
SMILESC=CCC(C)NC(C)C1CCOCC1
InChIInChI=1S/C12H23NO/c1-4-5-10(2)13-11(3)12-6-8-14-9-7-12/h4,10-13H,1,5-9H2,2-3H3
InChIKeyNHCDVXPZGSTWJX-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
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

N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914800
N-(oxan-4-ylmethyl)pent-4-en-2-amine
CID 115685663
N-pent-4-en-2-yloxepan-4-amine
CID 115890446
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339
1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine
CID 115721709
2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide
CID 75483160
1-(furan-2-yl)-N-[1-(oxan-4-yl)ethyl]propan-2-amine
CID 103776783
1-(oxolan-3-yl)-N-propylbut-3-en-1-amine
CID 65330642
N-(1-cyclohexylethyl)-1-morpholin-4-ylpropan-2-amine
CID 43779482
4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine
CID 115892028
N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine
CID 115725224

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)ethyl]pent-4-en-2-amine?
The IUPAC name of N-[1-(oxan-4-yl)ethyl]pent-4-en-2-amine (CID 115890310) is N-[1-(oxan-4-yl)ethyl]pent-4-en-2-amine.
What is the SMILES notation for N-[1-(oxan-4-yl)ethyl]pent-4-en-2-amine?
The canonical SMILES for N-[1-(oxan-4-yl)ethyl]pent-4-en-2-amine is C=CCC(C)NC(C)C1CCOCC1.
What is the InChIKey of N-[1-(oxan-4-yl)ethyl]pent-4-en-2-amine?
The InChIKey is NHCDVXPZGSTWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-5-10(2)13-11(3)12-6-8-14-9-7-12/h4,10-13H,1,5-9H2,2-3H3.
What are the key properties of N-[1-(oxan-4-yl)ethyl]pent-4-en-2-amine?
N-[1-(oxan-4-yl)ethyl]pent-4-en-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)ethyl]pent-4-en-2-amine is sourced from PubChem (CID 115890310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).