3-[[(3S)-hexan-3-yl]amino]but-3-en-2-ol

C10H21NO — CID 144507309

IUPAC3-[[(3S)-hexan-3-yl]amino]but-3-en-2-ol
SMILESC=C(N[C@@H](CC)CCC)C(C)O
InChIInChI=1S/C10H21NO/c1-5-7-10(6-2)11-8(3)9(4)12/h9-12H,3,5-7H2,1-2,4H3/t9?,10-/m0/s1
InChIKeyDONVQVQJGAVXKV-AXDSSHIGSA-N
MW171.28 g/mol
LogP2.05
Rot. Bonds6

About 3-[[(3S)-hexan-3-yl]amino]but-3-en-2-ol

3-[[(3S)-hexan-3-yl]amino]but-3-en-2-ol (PubChem CID 144507309) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-[[(3S)-hexan-3-yl]amino]but-3-en-2-ol.

Molecular Properties

Compound Name3-[[(3S)-hexan-3-yl]amino]but-3-en-2-ol
PubChem CID144507309
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-[[(3S)-hexan-3-yl]amino]but-3-en-2-ol
SMILESC=C(N[C@@H](CC)CCC)C(C)O
InChIInChI=1S/C10H21NO/c1-5-7-10(6-2)11-8(3)9(4)12/h9-12H,3,5-7H2,1-2,4H3/t9?,10-/m0/s1
InChIKeyDONVQVQJGAVXKV-AXDSSHIGSA-N
XLogP2.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-hexan-3-yl]amino]but-3-en-2-ol?
The IUPAC name of 3-[[(3S)-hexan-3-yl]amino]but-3-en-2-ol (CID 144507309) is 3-[[(3S)-hexan-3-yl]amino]but-3-en-2-ol.
What is the SMILES notation for 3-[[(3S)-hexan-3-yl]amino]but-3-en-2-ol?
The canonical SMILES for 3-[[(3S)-hexan-3-yl]amino]but-3-en-2-ol is C=C(N[C@@H](CC)CCC)C(C)O.
What is the InChIKey of 3-[[(3S)-hexan-3-yl]amino]but-3-en-2-ol?
The InChIKey is DONVQVQJGAVXKV-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-7-10(6-2)11-8(3)9(4)12/h9-12H,3,5-7H2,1-2,4H3/t9?,10-/m0/s1.
What are the key properties of 3-[[(3S)-hexan-3-yl]amino]but-3-en-2-ol?
3-[[(3S)-hexan-3-yl]amino]but-3-en-2-ol has a molecular weight of 171.28 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-hexan-3-yl]amino]but-3-en-2-ol is sourced from PubChem (CID 144507309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).