(2S)-4-methyl-2-(2-methylpropylamino)pentan-1-ol;hydrochloride

C10H24ClNO — CID 86590169

IUPAC(2S)-4-methyl-2-(2-methylpropylamino)pentan-1-ol;hydrochloride
SMILESCC(C)CN[C@H](CO)CC(C)C.Cl
InChIInChI=1S/C10H23NO.ClH/c1-8(2)5-10(7-12)11-6-9(3)4;/h8-12H,5-7H2,1-4H3;1H/t10-;/m0./s1
InChIKeyRFCDTWQSQGEJFE-PPHPATTJSA-N
MW209.76 g/mol
LogP2.06
Rot. Bonds6

About (2S)-4-methyl-2-(2-methylpropylamino)pentan-1-ol;hydrochloride

(2S)-4-methyl-2-(2-methylpropylamino)pentan-1-ol;hydrochloride (PubChem CID 86590169) has the molecular formula C10H24ClNO and a molecular weight of 209.76 g/mol. Its IUPAC name is (2S)-4-methyl-2-(2-methylpropylamino)pentan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-4-methyl-2-(2-methylpropylamino)pentan-1-ol;hydrochloride
PubChem CID86590169
Molecular FormulaC10H24ClNO
Molecular Weight209.76 g/mol
Exact Mass209.15
IUPAC Name(2S)-4-methyl-2-(2-methylpropylamino)pentan-1-ol;hydrochloride
SMILESCC(C)CN[C@H](CO)CC(C)C.Cl
InChIInChI=1S/C10H23NO.ClH/c1-8(2)5-10(7-12)11-6-9(3)4;/h8-12H,5-7H2,1-4H3;1H/t10-;/m0./s1
InChIKeyRFCDTWQSQGEJFE-PPHPATTJSA-N
XLogP2.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.76
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-2-Amino-4-methylpentan-1-ol hydrochloride
CID 12305004
(2S)-4-methyl-2-(methylamino)pentan-1-ol
CID 12695791
(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
N-[2-(1-hydroxy-4-methylpentyl)]acetamide
CID 25759525
CID 53833043
CID 53833043
4-Methyl-2-(methylamino)pentan-1-ol
CID 12695790
(2R)-4-methyl-2-(methylamino)pentan-1-ol
CID 59967423
2-[(Cyclobutylmethyl)amino]propan-1-ol
CID 65460320
[(2S,4S)-4-methylpyrrolidin-2-yl]methanol hydrochloride
CID 118798391
(2S)-2-[(2-{[(1S)-2-Hydroxy-1-(2-methylpropyl)ethyl]amino}ethyl)amino]-4-methylpentan-1-ol
CID 486265
Pentan-2-ol, 1-tert-buthylamino-4-methyl-
CID 534387

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(2-methylpropylamino)pentan-1-ol;hydrochloride?
The IUPAC name of (2S)-4-methyl-2-(2-methylpropylamino)pentan-1-ol;hydrochloride (CID 86590169) is (2S)-4-methyl-2-(2-methylpropylamino)pentan-1-ol;hydrochloride.
What is the SMILES notation for (2S)-4-methyl-2-(2-methylpropylamino)pentan-1-ol;hydrochloride?
The canonical SMILES for (2S)-4-methyl-2-(2-methylpropylamino)pentan-1-ol;hydrochloride is CC(C)CN[C@H](CO)CC(C)C.Cl.
What is the InChIKey of (2S)-4-methyl-2-(2-methylpropylamino)pentan-1-ol;hydrochloride?
The InChIKey is RFCDTWQSQGEJFE-PPHPATTJSA-N. The full InChI is InChI=1S/C10H23NO.ClH/c1-8(2)5-10(7-12)11-6-9(3)4;/h8-12H,5-7H2,1-4H3;1H/t10-;/m0./s1.
What are the key properties of (2S)-4-methyl-2-(2-methylpropylamino)pentan-1-ol;hydrochloride?
(2S)-4-methyl-2-(2-methylpropylamino)pentan-1-ol;hydrochloride has a molecular weight of 209.76 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(2-methylpropylamino)pentan-1-ol;hydrochloride is sourced from PubChem (CID 86590169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).