1-hexan-3-yloxyhexan-1-amine

C12H27NO — CID 19371183

IUPAC1-hexan-3-yloxyhexan-1-amine
SMILESCCCCCC(N)OC(CC)CCC
InChIInChI=1S/C12H27NO/c1-4-7-8-10-12(13)14-11(6-3)9-5-2/h11-12H,4-10,13H2,1-3H3
InChIKeyDHGGHXMDVLCNOD-UHFFFAOYSA-N
MW201.35 g/mol
LogP3.45
Rot. Bonds9

About 1-hexan-3-yloxyhexan-1-amine

1-hexan-3-yloxyhexan-1-amine (PubChem CID 19371183) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 1-hexan-3-yloxyhexan-1-amine.

Molecular Properties

Compound Name1-hexan-3-yloxyhexan-1-amine
PubChem CID19371183
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name1-hexan-3-yloxyhexan-1-amine
SMILESCCCCCC(N)OC(CC)CCC
InChIInChI=1S/C12H27NO/c1-4-7-8-10-12(13)14-11(6-3)9-5-2/h11-12H,4-10,13H2,1-3H3
InChIKeyDHGGHXMDVLCNOD-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-icosan-3-yloxyicosane
CID 22595200
3-pentadecan-3-yloxypentadecane
CID 57200588
4-icosan-4-yloxyicosane
CID 87313284
4-hexadecan-5-yloxyhexadecane
CID 57069400
tris(1-aminohexyl) phosphite
CID 87256127
O-(1-aminoheptyl)hydroxylamine
CID 89080647
tritriactan-3-amine;hydrochloride
CID 173389490
nonan-4-amine;hydrochloride
CID 86176929
heptadecan-4-amine;hydrochloride
CID 173248342
decan-4-amine;hydrochloride
CID 87728109
octadecan-9-amine;hydrochloride
CID 19002510
henicosane-8,14-diamine;dihydrochloride
CID 170909168

Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-yloxyhexan-1-amine?
The IUPAC name of 1-hexan-3-yloxyhexan-1-amine (CID 19371183) is 1-hexan-3-yloxyhexan-1-amine.
What is the SMILES notation for 1-hexan-3-yloxyhexan-1-amine?
The canonical SMILES for 1-hexan-3-yloxyhexan-1-amine is CCCCCC(N)OC(CC)CCC.
What is the InChIKey of 1-hexan-3-yloxyhexan-1-amine?
The InChIKey is DHGGHXMDVLCNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-7-8-10-12(13)14-11(6-3)9-5-2/h11-12H,4-10,13H2,1-3H3.
What are the key properties of 1-hexan-3-yloxyhexan-1-amine?
1-hexan-3-yloxyhexan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-3-yloxyhexan-1-amine is sourced from PubChem (CID 19371183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).