2-cyclopropyl-2-methyl-6-(oxan-4-yl)hexan-1-amine

C15H29NO — CID 114192558

IUPAC2-cyclopropyl-2-methyl-6-(oxan-4-yl)hexan-1-amine
SMILESCC(CN)(CCCCC1CCOCC1)C1CC1
InChIInChI=1S/C15H29NO/c1-15(12-16,14-5-6-14)9-3-2-4-13-7-10-17-11-8-13/h13-14H,2-12,16H2,1H3
InChIKeyHKMCCZTWTGJMBE-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.35
Rot. Bonds7

About 2-cyclopropyl-2-methyl-6-(oxan-4-yl)hexan-1-amine

2-cyclopropyl-2-methyl-6-(oxan-4-yl)hexan-1-amine (PubChem CID 114192558) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-6-(oxan-4-yl)hexan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-6-(oxan-4-yl)hexan-1-amine
PubChem CID114192558
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-cyclopropyl-2-methyl-6-(oxan-4-yl)hexan-1-amine
SMILESCC(CN)(CCCCC1CCOCC1)C1CC1
InChIInChI=1S/C15H29NO/c1-15(12-16,14-5-6-14)9-3-2-4-13-7-10-17-11-8-13/h13-14H,2-12,16H2,1H3
InChIKeyHKMCCZTWTGJMBE-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-2-methyl-7-(oxan-4-yl)heptan-3-ol
CID 114191778
N-(2-cyclopropylpropan-2-yl)-4-(oxan-4-yl)butan-1-amine
CID 114191147
5-amino-9-cyclohexyl-5-(oxan-4-yl)nonane-1-thiol
CID 139316785
2-cyclopropyl-1-(oxan-4-yl)propan-2-amine
CID 82237683
trimethyl-[2-(oxan-4-yl)ethyl]silane
CID 164606403
N-tert-butyl-2-cyclopropyl-2-methyl-3-(oxan-4-yl)propan-1-amine
CID 83160445
3-cyclohexyl-2-cyclopropyl-2-methylpropan-1-amine
CID 83149608
4-(oxan-4-yl)butane-1-sulfonamide
CID 165485464
4-amino-3-cyclobutyl-3-methylbutan-1-ol
CID 131219729
4-(2,2-dideuterio-4,4-dimethylpentyl)oxane
CID 118901717
N,2-dimethyl-4-(oxan-4-yl)butan-2-amine
CID 84660262
2,2-dimethyl-6-(oxolan-3-ylmethoxy)hexan-1-amine
CID 106708670

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-6-(oxan-4-yl)hexan-1-amine?
The IUPAC name of 2-cyclopropyl-2-methyl-6-(oxan-4-yl)hexan-1-amine (CID 114192558) is 2-cyclopropyl-2-methyl-6-(oxan-4-yl)hexan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-methyl-6-(oxan-4-yl)hexan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-methyl-6-(oxan-4-yl)hexan-1-amine is CC(CN)(CCCCC1CCOCC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methyl-6-(oxan-4-yl)hexan-1-amine?
The InChIKey is HKMCCZTWTGJMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-15(12-16,14-5-6-14)9-3-2-4-13-7-10-17-11-8-13/h13-14H,2-12,16H2,1H3.
What are the key properties of 2-cyclopropyl-2-methyl-6-(oxan-4-yl)hexan-1-amine?
2-cyclopropyl-2-methyl-6-(oxan-4-yl)hexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-6-(oxan-4-yl)hexan-1-amine is sourced from PubChem (CID 114192558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).