(2R)-4-[[(2S)-heptan-2-yl]amino]butan-2-ol

C11H25NO — CID 97030461

IUPAC(2R)-4-[[(2S)-heptan-2-yl]amino]butan-2-ol
SMILESCCCCC[C@H](C)NCC[C@@H](C)O
InChIInChI=1S/C11H25NO/c1-4-5-6-7-10(2)12-9-8-11(3)13/h10-13H,4-9H2,1-3H3/t10-,11+/m0/s1
InChIKeyIMDAAAVSGXQKOR-WDEREUQCSA-N
MW187.33 g/mol
LogP2.32
Rot. Bonds8

About (2R)-4-[[(2S)-heptan-2-yl]amino]butan-2-ol

(2R)-4-[[(2S)-heptan-2-yl]amino]butan-2-ol (PubChem CID 97030461) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (2R)-4-[[(2S)-heptan-2-yl]amino]butan-2-ol.

Molecular Properties

Compound Name(2R)-4-[[(2S)-heptan-2-yl]amino]butan-2-ol
PubChem CID97030461
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(2R)-4-[[(2S)-heptan-2-yl]amino]butan-2-ol
SMILESCCCCC[C@H](C)NCC[C@@H](C)O
InChIInChI=1S/C11H25NO/c1-4-5-6-7-10(2)12-9-8-11(3)13/h10-13H,4-9H2,1-3H3/t10-,11+/m0/s1
InChIKeyIMDAAAVSGXQKOR-WDEREUQCSA-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

(2R)-4-[[(2R)-heptan-2-yl]amino]butan-2-ol
CID 97030460
(2S)-4-[[(2R)-octan-2-yl]amino]butan-2-ol
CID 96784182
4-(undecan-6-ylamino)butan-2-ol
CID 64927734
4-methyl-1-(octan-2-ylamino)pentan-3-ol
CID 115723509
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-propylnonan-2-amine
CID 43129664
N-heptan-2-yldodecan-1-amine
CID 63491878
N-butylundecan-2-amine
CID 90035852
N-octan-2-ylundecan-1-amine
CID 150124606
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
CID 61465971
(2S)-4-(butan-2-ylamino)butan-2-ol
CID 130638354

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[(2S)-heptan-2-yl]amino]butan-2-ol?
The IUPAC name of (2R)-4-[[(2S)-heptan-2-yl]amino]butan-2-ol (CID 97030461) is (2R)-4-[[(2S)-heptan-2-yl]amino]butan-2-ol.
What is the SMILES notation for (2R)-4-[[(2S)-heptan-2-yl]amino]butan-2-ol?
The canonical SMILES for (2R)-4-[[(2S)-heptan-2-yl]amino]butan-2-ol is CCCCC[C@H](C)NCC[C@@H](C)O.
What is the InChIKey of (2R)-4-[[(2S)-heptan-2-yl]amino]butan-2-ol?
The InChIKey is IMDAAAVSGXQKOR-WDEREUQCSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-5-6-7-10(2)12-9-8-11(3)13/h10-13H,4-9H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of (2R)-4-[[(2S)-heptan-2-yl]amino]butan-2-ol?
(2R)-4-[[(2S)-heptan-2-yl]amino]butan-2-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)-4-[[(2S)-heptan-2-yl]amino]butan-2-ol is sourced from PubChem (CID 97030461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).