3-[ethyl(heptan-3-yl)amino]propan-1-ol

C12H27NO — CID 88539912

IUPAC3-[ethyl(heptan-3-yl)amino]propan-1-ol
SMILESCCCCC(CC)N(CC)CCCO
InChIInChI=1S/C12H27NO/c1-4-7-9-12(5-2)13(6-3)10-8-11-14/h12,14H,4-11H2,1-3H3
InChIKeyCJQYADYWDLDNLC-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.66
Rot. Bonds9

About 3-[ethyl(heptan-3-yl)amino]propan-1-ol

3-[ethyl(heptan-3-yl)amino]propan-1-ol (PubChem CID 88539912) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-[ethyl(heptan-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[ethyl(heptan-3-yl)amino]propan-1-ol
PubChem CID88539912
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-[ethyl(heptan-3-yl)amino]propan-1-ol
SMILESCCCCC(CC)N(CC)CCCO
InChIInChI=1S/C12H27NO/c1-4-7-9-12(5-2)13(6-3)10-8-11-14/h12,14H,4-11H2,1-3H3
InChIKeyCJQYADYWDLDNLC-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl(nonan-5-yl)amino]propan-1-ol
CID 88539707
4-[ethyl(nonan-5-yl)amino]butan-1-ol
CID 88539737
3-[ethyl(pentyl)amino]pentan-1-ol
CID 168878790
3-[butan-2-yl(ethyl)amino]propan-1-ol
CID 43509660
1-[ethyl(3-hydroxypropyl)amino]butan-1-ol
CID 90465206
2-[ethyl(2-hydroxyethyl)amino]butan-1-ol
CID 87456981
3-amino-2-[butyl(ethyl)amino]propan-1-ol
CID 104710797
3-[ethyl(octadecan-3-yl)amino]propanal
CID 173125215
2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine
CID 170537476
2-[2-ethylhexyl(pentan-3-yl)amino]ethanol
CID 55191905
2-[heptan-3-yl(propyl)amino]acetic acid
CID 65064698
2-[carboxymethyl(heptan-3-yl)amino]acetic acid
CID 65065837

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(heptan-3-yl)amino]propan-1-ol?
The IUPAC name of 3-[ethyl(heptan-3-yl)amino]propan-1-ol (CID 88539912) is 3-[ethyl(heptan-3-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[ethyl(heptan-3-yl)amino]propan-1-ol?
The canonical SMILES for 3-[ethyl(heptan-3-yl)amino]propan-1-ol is CCCCC(CC)N(CC)CCCO.
What is the InChIKey of 3-[ethyl(heptan-3-yl)amino]propan-1-ol?
The InChIKey is CJQYADYWDLDNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-7-9-12(5-2)13(6-3)10-8-11-14/h12,14H,4-11H2,1-3H3.
What are the key properties of 3-[ethyl(heptan-3-yl)amino]propan-1-ol?
3-[ethyl(heptan-3-yl)amino]propan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(heptan-3-yl)amino]propan-1-ol is sourced from PubChem (CID 88539912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).