N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-1-amine

C16H29NO — CID 79365668

IUPACN-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCOC1C1CC=CCC1
InChIInChI=1S/C16H29NO/c1-13(2)11-17-12-15-9-6-10-18-16(15)14-7-4-3-5-8-14/h3-4,13-17H,5-12H2,1-2H3
InChIKeyXDOKXUXAPLEVSV-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.38
Rot. Bonds5

About N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-1-amine

N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-1-amine (PubChem CID 79365668) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-1-amine
PubChem CID79365668
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCOC1C1CC=CCC1
InChIInChI=1S/C16H29NO/c1-13(2)11-17-12-15-9-6-10-18-16(15)14-7-4-3-5-8-14/h3-4,13-17H,5-12H2,1-2H3
InChIKeyXDOKXUXAPLEVSV-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
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-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-1-amine (CID 79365668) is N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCOC1C1CC=CCC1.
What is the InChIKey of N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is XDOKXUXAPLEVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-13(2)11-17-12-15-9-6-10-18-16(15)14-7-4-3-5-8-14/h3-4,13-17H,5-12H2,1-2H3.
What are the key properties of N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-1-amine?
N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79365668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).