4-heptyloxan-4-amine

C12H25NO — CID 63220508

IUPAC4-heptyloxan-4-amine
SMILESCCCCCCCC1(N)CCOCC1
InChIInChI=1S/C12H25NO/c1-2-3-4-5-6-7-12(13)8-10-14-11-9-12/h2-11,13H2,1H3
InChIKeyQHGFEXKAHZXKAQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.85
Rot. Bonds6

About 4-heptyloxan-4-amine

4-heptyloxan-4-amine (PubChem CID 63220508) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-heptyloxan-4-amine.

Molecular Properties

Compound Name4-heptyloxan-4-amine
PubChem CID63220508
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-heptyloxan-4-amine
SMILESCCCCCCCC1(N)CCOCC1
InChIInChI=1S/C12H25NO/c1-2-3-4-5-6-7-12(13)8-10-14-11-9-12/h2-11,13H2,1H3
InChIKeyQHGFEXKAHZXKAQ-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.85
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

1-decylcyclopropan-1-amine
CID 66023987
1-pentylcyclopropan-1-amine
CID 66023547
1-heptylcycloheptan-1-amine
CID 63407607
1,4-dibutylcyclohexane-1,4-diamine
CID 139996761
(4-octyloxan-4-yl)methanol
CID 66024090
4-pentyloxan-4-ol
CID 65145510
1,4-dioxane;tetradecane
CID 159034856
4-butyl-1-hexylcyclohexan-1-amine
CID 65020342
4-dodecyloxepan-4-ol
CID 65151403
1-dodecyl-3,3-dimethylcyclopentan-1-amine
CID 80705069
1-butylcyclohexan-1-amine
CID 13182498
3-[7-[heptadecyl(dimethyl)-λ4-sulfanyl]heptyl]oxetan-3-amine
CID 174183046

Frequently Asked Questions

What is the IUPAC name of 4-heptyloxan-4-amine?
The IUPAC name of 4-heptyloxan-4-amine (CID 63220508) is 4-heptyloxan-4-amine.
What is the SMILES notation for 4-heptyloxan-4-amine?
The canonical SMILES for 4-heptyloxan-4-amine is CCCCCCCC1(N)CCOCC1.
What is the InChIKey of 4-heptyloxan-4-amine?
The InChIKey is QHGFEXKAHZXKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-3-4-5-6-7-12(13)8-10-14-11-9-12/h2-11,13H2,1H3.
What are the key properties of 4-heptyloxan-4-amine?
4-heptyloxan-4-amine has a molecular weight of 199.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyloxan-4-amine is sourced from PubChem (CID 63220508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).