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

C9H19NO — CID 18739778

IUPAC2-methyl-4-(propan-2-ylamino)pentan-3-one
SMILESCC(C)NC(C)C(=O)C(C)C
InChIInChI=1S/C9H19NO/c1-6(2)9(11)8(5)10-7(3)4/h6-8,10H,1-5H3
InChIKeyBJGPLRRALXXJKM-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.60
Rot. Bonds4

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

2-methyl-4-(propan-2-ylamino)pentan-3-one (PubChem CID 18739778) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-methyl-4-(propan-2-ylamino)pentan-3-one.

Molecular Properties

Compound Name2-methyl-4-(propan-2-ylamino)pentan-3-one
PubChem CID18739778
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-methyl-4-(propan-2-ylamino)pentan-3-one
SMILESCC(C)NC(C)C(=O)C(C)C
InChIInChI=1S/C9H19NO/c1-6(2)9(11)8(5)10-7(3)4/h6-8,10H,1-5H3
InChIKeyBJGPLRRALXXJKM-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
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-one?
The IUPAC name of 2-methyl-4-(propan-2-ylamino)pentan-3-one (CID 18739778) is 2-methyl-4-(propan-2-ylamino)pentan-3-one.
What is the SMILES notation for 2-methyl-4-(propan-2-ylamino)pentan-3-one?
The canonical SMILES for 2-methyl-4-(propan-2-ylamino)pentan-3-one is CC(C)NC(C)C(=O)C(C)C.
What is the InChIKey of 2-methyl-4-(propan-2-ylamino)pentan-3-one?
The InChIKey is BJGPLRRALXXJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6(2)9(11)8(5)10-7(3)4/h6-8,10H,1-5H3.
What are the key properties of 2-methyl-4-(propan-2-ylamino)pentan-3-one?
2-methyl-4-(propan-2-ylamino)pentan-3-one has a molecular weight of 157.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 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-one is sourced from PubChem (CID 18739778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).