(3S)-3-amino-1-[[(2S)-3-methylbutan-2-yl]amino]hexan-2-ol

C11H26N2O — CID 159288643

IUPAC(3S)-3-amino-1-[[(2S)-3-methylbutan-2-yl]amino]hexan-2-ol
SMILESCCC[C@H](N)C(O)CN[C@@H](C)C(C)C
InChIInChI=1S/C11H26N2O/c1-5-6-10(12)11(14)7-13-9(4)8(2)3/h8-11,13-14H,5-7,12H2,1-4H3/t9-,10-,11?/m0/s1
InChIKeyKZVDLNVRECFZCL-QRHSGQBVSA-N
MW202.34 g/mol
LogP1.11
Rot. Bonds7

About (3S)-3-amino-1-[[(2S)-3-methylbutan-2-yl]amino]hexan-2-ol

(3S)-3-amino-1-[[(2S)-3-methylbutan-2-yl]amino]hexan-2-ol (PubChem CID 159288643) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is (3S)-3-amino-1-[[(2S)-3-methylbutan-2-yl]amino]hexan-2-ol.

Molecular Properties

Compound Name(3S)-3-amino-1-[[(2S)-3-methylbutan-2-yl]amino]hexan-2-ol
PubChem CID159288643
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name(3S)-3-amino-1-[[(2S)-3-methylbutan-2-yl]amino]hexan-2-ol
SMILESCCC[C@H](N)C(O)CN[C@@H](C)C(C)C
InChIInChI=1S/C11H26N2O/c1-5-6-10(12)11(14)7-13-9(4)8(2)3/h8-11,13-14H,5-7,12H2,1-4H3/t9-,10-,11?/m0/s1
InChIKeyKZVDLNVRECFZCL-QRHSGQBVSA-N
XLogP1.11
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]hexanamide
CID 142118919
3-methyl-1-N-pentan-2-ylbutane-1,2-diamine
CID 107886793
(4S,5S)-4-aminotridecan-5-ol
CID 10584805
(4R,5R)-octane-4,5-diamine
CID 13138963
(2S,3S)-2-aminohexan-3-ol
CID 55285025
3-methyl-1-(pentan-3-ylamino)butan-2-ol
CID 115720488
1-aminobutan-1-ol;1-(methylamino)ethanol
CID 157231135
(3S,4S)-4-amino-3-hydroxyheptanoic acid
CID 14753776
2-ethyl-N-(3-methylbutan-2-yl)butan-1-amine
CID 43085320
1,2-diaminohexane-1,3-diol
CID 91068082
1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol
CID 103787947
2-amino-3-ethylheptan-4-ol
CID 146264910

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[[(2S)-3-methylbutan-2-yl]amino]hexan-2-ol?
The IUPAC name of (3S)-3-amino-1-[[(2S)-3-methylbutan-2-yl]amino]hexan-2-ol (CID 159288643) is (3S)-3-amino-1-[[(2S)-3-methylbutan-2-yl]amino]hexan-2-ol.
What is the SMILES notation for (3S)-3-amino-1-[[(2S)-3-methylbutan-2-yl]amino]hexan-2-ol?
The canonical SMILES for (3S)-3-amino-1-[[(2S)-3-methylbutan-2-yl]amino]hexan-2-ol is CCC[C@H](N)C(O)CN[C@@H](C)C(C)C.
What is the InChIKey of (3S)-3-amino-1-[[(2S)-3-methylbutan-2-yl]amino]hexan-2-ol?
The InChIKey is KZVDLNVRECFZCL-QRHSGQBVSA-N. The full InChI is InChI=1S/C11H26N2O/c1-5-6-10(12)11(14)7-13-9(4)8(2)3/h8-11,13-14H,5-7,12H2,1-4H3/t9-,10-,11?/m0/s1.
What are the key properties of (3S)-3-amino-1-[[(2S)-3-methylbutan-2-yl]amino]hexan-2-ol?
(3S)-3-amino-1-[[(2S)-3-methylbutan-2-yl]amino]hexan-2-ol has a molecular weight of 202.34 g/mol, XLogP of 1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[[(2S)-3-methylbutan-2-yl]amino]hexan-2-ol is sourced from PubChem (CID 159288643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).