N-(2-methylpropyl)-N-pent-4-en-2-yloxan-4-amine

C14H27NO — CID 135172010

IUPACN-(2-methylpropyl)-N-pent-4-en-2-yloxan-4-amine
SMILESC=CCC(C)N(CC(C)C)C1CCOCC1
InChIInChI=1S/C14H27NO/c1-5-6-13(4)15(11-12(2)3)14-7-9-16-10-8-14/h5,12-14H,1,6-11H2,2-4H3
InChIKeyRBNOMQAZAFKMEJ-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.09
Rot. Bonds6

About N-(2-methylpropyl)-N-pent-4-en-2-yloxan-4-amine

N-(2-methylpropyl)-N-pent-4-en-2-yloxan-4-amine (PubChem CID 135172010) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-pent-4-en-2-yloxan-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-pent-4-en-2-yloxan-4-amine
PubChem CID135172010
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(2-methylpropyl)-N-pent-4-en-2-yloxan-4-amine
SMILESC=CCC(C)N(CC(C)C)C1CCOCC1
InChIInChI=1S/C14H27NO/c1-5-6-13(4)15(11-12(2)3)14-7-9-16-10-8-14/h5,12-14H,1,6-11H2,2-4H3
InChIKeyRBNOMQAZAFKMEJ-UHFFFAOYSA-N
XLogP3.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
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 N-(2-methylpropyl)-N-pent-4-en-2-yloxan-4-amine?
The IUPAC name of N-(2-methylpropyl)-N-pent-4-en-2-yloxan-4-amine (CID 135172010) is N-(2-methylpropyl)-N-pent-4-en-2-yloxan-4-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-pent-4-en-2-yloxan-4-amine?
The canonical SMILES for N-(2-methylpropyl)-N-pent-4-en-2-yloxan-4-amine is C=CCC(C)N(CC(C)C)C1CCOCC1.
What is the InChIKey of N-(2-methylpropyl)-N-pent-4-en-2-yloxan-4-amine?
The InChIKey is RBNOMQAZAFKMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-6-13(4)15(11-12(2)3)14-7-9-16-10-8-14/h5,12-14H,1,6-11H2,2-4H3.
What are the key properties of N-(2-methylpropyl)-N-pent-4-en-2-yloxan-4-amine?
N-(2-methylpropyl)-N-pent-4-en-2-yloxan-4-amine has a molecular weight of 225.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-pent-4-en-2-yloxan-4-amine is sourced from PubChem (CID 135172010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).