2-methyl-N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine

C15H29NO — CID 62455169

IUPAC2-methyl-N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine
SMILESCC1CC=CCC1COCCCNC(C)(C)C
InChIInChI=1S/C15H29NO/c1-13-8-5-6-9-14(13)12-17-11-7-10-16-15(2,3)4/h5-6,13-14,16H,7-12H2,1-4H3
InChIKeyUTTAWZSLHMUSKU-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.38
Rot. Bonds6

About 2-methyl-N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine

2-methyl-N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine (PubChem CID 62455169) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-methyl-N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine
PubChem CID62455169
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-methyl-N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine
SMILESCC1CC=CCC1COCCCNC(C)(C)C
InChIInChI=1S/C15H29NO/c1-13-8-5-6-9-14(13)12-17-11-7-10-16-15(2,3)4/h5-6,13-14,16H,7-12H2,1-4H3
InChIKeyUTTAWZSLHMUSKU-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine (CID 62455169) is 2-methyl-N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine is CC1CC=CCC1COCCCNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine?
The InChIKey is UTTAWZSLHMUSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13-8-5-6-9-14(13)12-17-11-7-10-16-15(2,3)4/h5-6,13-14,16H,7-12H2,1-4H3.
What are the key properties of 2-methyl-N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine?
2-methyl-N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine has a molecular weight of 239.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine is sourced from PubChem (CID 62455169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).