2-methyl-4-(propan-2-ylamino)pentan-3-ol

C9H21NO — CID 18720335

IUPAC2-methyl-4-(propan-2-ylamino)pentan-3-ol
SMILESCC(C)NC(C)C(O)C(C)C
InChIInChI=1S/C9H21NO/c1-6(2)9(11)8(5)10-7(3)4/h6-11H,1-5H3
InChIKeyKTGFTFZLRUNGFX-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.39
Rot. Bonds4

About 2-methyl-4-(propan-2-ylamino)pentan-3-ol

2-methyl-4-(propan-2-ylamino)pentan-3-ol (PubChem CID 18720335) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-methyl-4-(propan-2-ylamino)pentan-3-ol.

Molecular Properties

Compound Name2-methyl-4-(propan-2-ylamino)pentan-3-ol
PubChem CID18720335
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-methyl-4-(propan-2-ylamino)pentan-3-ol
SMILESCC(C)NC(C)C(O)C(C)C
InChIInChI=1S/C9H21NO/c1-6(2)9(11)8(5)10-7(3)4/h6-11H,1-5H3
InChIKeyKTGFTFZLRUNGFX-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(propan-2-ylamino)pentan-3-ol?
The IUPAC name of 2-methyl-4-(propan-2-ylamino)pentan-3-ol (CID 18720335) is 2-methyl-4-(propan-2-ylamino)pentan-3-ol.
What is the SMILES notation for 2-methyl-4-(propan-2-ylamino)pentan-3-ol?
The canonical SMILES for 2-methyl-4-(propan-2-ylamino)pentan-3-ol is CC(C)NC(C)C(O)C(C)C.
What is the InChIKey of 2-methyl-4-(propan-2-ylamino)pentan-3-ol?
The InChIKey is KTGFTFZLRUNGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-6(2)9(11)8(5)10-7(3)4/h6-11H,1-5H3.
What are the key properties of 2-methyl-4-(propan-2-ylamino)pentan-3-ol?
2-methyl-4-(propan-2-ylamino)pentan-3-ol has a molecular weight of 159.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(propan-2-ylamino)pentan-3-ol is sourced from PubChem (CID 18720335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).