4-methyl-3-(propan-2-ylamino)pentan-1-ol

C9H21NO — CID 86063163

IUPAC4-methyl-3-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(CCO)C(C)C
InChIInChI=1S/C9H21NO/c1-7(2)9(5-6-11)10-8(3)4/h7-11H,5-6H2,1-4H3
InChIKeyATAQDEOOLPZFRN-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.39
Rot. Bonds5

About 4-methyl-3-(propan-2-ylamino)pentan-1-ol

4-methyl-3-(propan-2-ylamino)pentan-1-ol (PubChem CID 86063163) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 4-methyl-3-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-(propan-2-ylamino)pentan-1-ol
PubChem CID86063163
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name4-methyl-3-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(CCO)C(C)C
InChIInChI=1S/C9H21NO/c1-7(2)9(5-6-11)10-8(3)4/h7-11H,5-6H2,1-4H3
InChIKeyATAQDEOOLPZFRN-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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 4-methyl-3-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 4-methyl-3-(propan-2-ylamino)pentan-1-ol (CID 86063163) is 4-methyl-3-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-3-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-3-(propan-2-ylamino)pentan-1-ol is CC(C)NC(CCO)C(C)C.
What is the InChIKey of 4-methyl-3-(propan-2-ylamino)pentan-1-ol?
The InChIKey is ATAQDEOOLPZFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-7(2)9(5-6-11)10-8(3)4/h7-11H,5-6H2,1-4H3.
What are the key properties of 4-methyl-3-(propan-2-ylamino)pentan-1-ol?
4-methyl-3-(propan-2-ylamino)pentan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 86063163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).