(2R)-2-[[(3S)-heptan-3-yl]amino]-4-methylpentan-1-ol

C13H29NO — CID 95256865

IUPAC(2R)-2-[[(3S)-heptan-3-yl]amino]-4-methylpentan-1-ol
SMILESCCCC[C@H](CC)N[C@@H](CO)CC(C)C
InChIInChI=1S/C13H29NO/c1-5-7-8-12(6-2)14-13(10-15)9-11(3)4/h11-15H,5-10H2,1-4H3/t12-,13+/m0/s1
InChIKeyRPRRNMIUVKCVNA-QWHCGFSZSA-N
MW215.38 g/mol
LogP2.95
Rot. Bonds9

About (2R)-2-[[(3S)-heptan-3-yl]amino]-4-methylpentan-1-ol

(2R)-2-[[(3S)-heptan-3-yl]amino]-4-methylpentan-1-ol (PubChem CID 95256865) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is (2R)-2-[[(3S)-heptan-3-yl]amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(3S)-heptan-3-yl]amino]-4-methylpentan-1-ol
PubChem CID95256865
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name(2R)-2-[[(3S)-heptan-3-yl]amino]-4-methylpentan-1-ol
SMILESCCCC[C@H](CC)N[C@@H](CO)CC(C)C
InChIInChI=1S/C13H29NO/c1-5-7-8-12(6-2)14-13(10-15)9-11(3)4/h11-15H,5-10H2,1-4H3/t12-,13+/m0/s1
InChIKeyRPRRNMIUVKCVNA-QWHCGFSZSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-methyl-2-(methylamino)pentan-1-ol
CID 12695791
[2-(2-Methylpropyl)pyrrolidin-2-yl]methanol
CID 75488627
(S)-2-Isopropylamino-3-methyl-1-butanol
CID 13778611
(2S)-2-[2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]ethylamino]-4-methylpentan-1-ol
CID 44291163
2-(Ethylamino)-1-dodecanol
CID 57397668
2-[(2-Ethylhexyl)amino]ethanol
CID 276971
4-Methyl-2-(methylamino)pentan-1-ol
CID 12695790
(3-Methylpiperidin-2-yl)methanol
CID 19898861
(5-Methylpiperidin-2-yl)methanol
CID 55286101
(2R)-4-methyl-2-(methylamino)pentan-1-ol
CID 59967423
2-[(Cyclobutylmethyl)amino]propan-1-ol
CID 65460320
(2S)-2-[(2-{[(1S)-2-Hydroxy-1-(2-methylpropyl)ethyl]amino}ethyl)amino]-4-methylpentan-1-ol
CID 486265

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3S)-heptan-3-yl]amino]-4-methylpentan-1-ol?
The IUPAC name of (2R)-2-[[(3S)-heptan-3-yl]amino]-4-methylpentan-1-ol (CID 95256865) is (2R)-2-[[(3S)-heptan-3-yl]amino]-4-methylpentan-1-ol.
What is the SMILES notation for (2R)-2-[[(3S)-heptan-3-yl]amino]-4-methylpentan-1-ol?
The canonical SMILES for (2R)-2-[[(3S)-heptan-3-yl]amino]-4-methylpentan-1-ol is CCCC[C@H](CC)N[C@@H](CO)CC(C)C.
What is the InChIKey of (2R)-2-[[(3S)-heptan-3-yl]amino]-4-methylpentan-1-ol?
The InChIKey is RPRRNMIUVKCVNA-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-7-8-12(6-2)14-13(10-15)9-11(3)4/h11-15H,5-10H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of (2R)-2-[[(3S)-heptan-3-yl]amino]-4-methylpentan-1-ol?
(2R)-2-[[(3S)-heptan-3-yl]amino]-4-methylpentan-1-ol has a molecular weight of 215.38 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3S)-heptan-3-yl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 95256865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).