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

C16H29NO — CID 79365844

IUPACN-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCOC1C1CC=CCC1
InChIInChI=1S/C16H29NO/c1-16(2,3)17-12-14-10-7-11-18-15(14)13-8-5-4-6-9-13/h4-5,13-15,17H,6-12H2,1-3H3
InChIKeyIWBOUSOMODGYFY-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.53
Rot. Bonds3

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

N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-2-amine (PubChem CID 79365844) 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-2-amine.

Molecular Properties

Compound NameN-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-2-amine
PubChem CID79365844
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCOC1C1CC=CCC1
InChIInChI=1S/C16H29NO/c1-16(2,3)17-12-14-10-7-11-18-15(14)13-8-5-4-6-9-13/h4-5,13-15,17H,6-12H2,1-3H3
InChIKeyIWBOUSOMODGYFY-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.53
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-2-amine?
The IUPAC name of N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-2-amine (CID 79365844) is N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCCOC1C1CC=CCC1.
What is the InChIKey of N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is IWBOUSOMODGYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-16(2,3)17-12-14-10-7-11-18-15(14)13-8-5-4-6-9-13/h4-5,13-15,17H,6-12H2,1-3H3.
What are the key properties of N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-2-amine?
N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 251.41 g/mol, XLogP of 3.53, 3 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-2-amine is sourced from PubChem (CID 79365844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).