4-amino-3,3-dipropylhexan-1-ol

C12H27NO — CID 66090314

IUPAC4-amino-3,3-dipropylhexan-1-ol
SMILESCCCC(CCC)(CCO)C(N)CC
InChIInChI=1S/C12H27NO/c1-4-7-12(8-5-2,9-10-14)11(13)6-3/h11,14H,4-10,13H2,1-3H3
InChIKeyXPAVPXBYFYIQCZ-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.69
Rot. Bonds8

About 4-amino-3,3-dipropylhexan-1-ol

4-amino-3,3-dipropylhexan-1-ol (PubChem CID 66090314) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 4-amino-3,3-dipropylhexan-1-ol.

Molecular Properties

Compound Name4-amino-3,3-dipropylhexan-1-ol
PubChem CID66090314
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name4-amino-3,3-dipropylhexan-1-ol
SMILESCCCC(CCC)(CCO)C(N)CC
InChIInChI=1S/C12H27NO/c1-4-7-12(8-5-2,9-10-14)11(13)6-3/h11,14H,4-10,13H2,1-3H3
InChIKeyXPAVPXBYFYIQCZ-UHFFFAOYSA-N
XLogP2.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dipropylhexan-1-ol?
The IUPAC name of 4-amino-3,3-dipropylhexan-1-ol (CID 66090314) is 4-amino-3,3-dipropylhexan-1-ol.
What is the SMILES notation for 4-amino-3,3-dipropylhexan-1-ol?
The canonical SMILES for 4-amino-3,3-dipropylhexan-1-ol is CCCC(CCC)(CCO)C(N)CC.
What is the InChIKey of 4-amino-3,3-dipropylhexan-1-ol?
The InChIKey is XPAVPXBYFYIQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-7-12(8-5-2,9-10-14)11(13)6-3/h11,14H,4-10,13H2,1-3H3.
What are the key properties of 4-amino-3,3-dipropylhexan-1-ol?
4-amino-3,3-dipropylhexan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dipropylhexan-1-ol is sourced from PubChem (CID 66090314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).