(2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol

C11H25NO — CID 28724696

IUPAC(2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol
SMILESCCCCC[C@@H](C)N[C@H](CC)CO
InChIInChI=1S/C11H25NO/c1-4-6-7-8-10(3)12-11(5-2)9-13/h10-13H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyIBVGYPLQLMLABS-GHMZBOCLSA-N
MW187.33 g/mol
LogP2.32
Rot. Bonds8

About (2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol

(2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol (PubChem CID 28724696) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol
PubChem CID28724696
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol
SMILESCCCCC[C@@H](C)N[C@H](CC)CO
InChIInChI=1S/C11H25NO/c1-4-6-7-8-10(3)12-11(5-2)9-13/h10-13H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyIBVGYPLQLMLABS-GHMZBOCLSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol
CID 103949543
2-(butan-2-ylamino)undecan-1-ol
CID 114078301
(2R)-2-(heptan-2-ylamino)propan-1-ol
CID 114986918
2-(nonadecan-2-ylamino)propan-1-ol
CID 3020463
(2R)-2-(undecan-6-ylamino)propan-1-ol
CID 114987067
N-heptan-4-ylheptan-2-amine
CID 43572732
(2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol
CID 55300150
(2S)-N-butan-2-ylheptan-2-amine
CID 163467139
2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 115895063
3-(heptan-2-ylamino)pentanenitrile
CID 61464577
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
(2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol
CID 79253877

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol (CID 28724696) is (2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol is CCCCC[C@@H](C)N[C@H](CC)CO.
What is the InChIKey of (2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol?
The InChIKey is IBVGYPLQLMLABS-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-6-7-8-10(3)12-11(5-2)9-13/h10-13H,4-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol?
(2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol is sourced from PubChem (CID 28724696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).