N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-propan-2-yloxan-4-amine

C15H27NO — CID 97159967

IUPACN-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-propan-2-yloxan-4-amine
SMILESCC(C)N(C[C@H]1CC=CCC1)C1CCOCC1
InChIInChI=1S/C15H27NO/c1-13(2)16(15-8-10-17-11-9-15)12-14-6-4-3-5-7-14/h3-4,13-15H,5-12H2,1-2H3/t14-/m0/s1
InChIKeyKUTLIAFVXWRAQR-AWEZNQCLSA-N
MW237.39 g/mol
LogP3.23
Rot. Bonds4

About N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-propan-2-yloxan-4-amine

N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-propan-2-yloxan-4-amine (PubChem CID 97159967) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-propan-2-yloxan-4-amine.

Molecular Properties

Compound NameN-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-propan-2-yloxan-4-amine
PubChem CID97159967
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-propan-2-yloxan-4-amine
SMILESCC(C)N(C[C@H]1CC=CCC1)C1CCOCC1
InChIInChI=1S/C15H27NO/c1-13(2)16(15-8-10-17-11-9-15)12-14-6-4-3-5-7-14/h3-4,13-15H,5-12H2,1-2H3/t14-/m0/s1
InChIKeyKUTLIAFVXWRAQR-AWEZNQCLSA-N
XLogP3.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.23
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-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-propan-2-yloxan-4-amine?
The IUPAC name of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-propan-2-yloxan-4-amine (CID 97159967) is N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-propan-2-yloxan-4-amine.
What is the SMILES notation for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-propan-2-yloxan-4-amine?
The canonical SMILES for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-propan-2-yloxan-4-amine is CC(C)N(C[C@H]1CC=CCC1)C1CCOCC1.
What is the InChIKey of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-propan-2-yloxan-4-amine?
The InChIKey is KUTLIAFVXWRAQR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H27NO/c1-13(2)16(15-8-10-17-11-9-15)12-14-6-4-3-5-7-14/h3-4,13-15H,5-12H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-propan-2-yloxan-4-amine?
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-propan-2-yloxan-4-amine has a molecular weight of 237.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-propan-2-yloxan-4-amine is sourced from PubChem (CID 97159967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).