4-methylpentan-1-amine;5-(propan-2-ylamino)pentan-2-one

C14H32N2O — CID 161037963

IUPAC4-methylpentan-1-amine;5-(propan-2-ylamino)pentan-2-one
SMILESCC(=O)CCCNC(C)C.CC(C)CCCN
InChIInChI=1S/C8H17NO.C6H15N/c1-7(2)9-6-4-5-8(3)10;1-6(2)4-3-5-7/h7,9H,4-6H2,1-3H3;6H,3-5,7H2,1-2H3
InChIKeyUAMQSSQEXOTMBU-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.73
Rot. Bonds8

About 4-methylpentan-1-amine;5-(propan-2-ylamino)pentan-2-one

4-methylpentan-1-amine;5-(propan-2-ylamino)pentan-2-one (PubChem CID 161037963) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 4-methylpentan-1-amine;5-(propan-2-ylamino)pentan-2-one.

Molecular Properties

Compound Name4-methylpentan-1-amine;5-(propan-2-ylamino)pentan-2-one
PubChem CID161037963
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name4-methylpentan-1-amine;5-(propan-2-ylamino)pentan-2-one
SMILESCC(=O)CCCNC(C)C.CC(C)CCCN
InChIInChI=1S/C8H17NO.C6H15N/c1-7(2)9-6-4-5-8(3)10;1-6(2)4-3-5-7/h7,9H,4-6H2,1-3H3;6H,3-5,7H2,1-2H3
InChIKeyUAMQSSQEXOTMBU-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methylpentyl 4-(propan-2-ylamino)butanoate
CID 61304079
ethane;molecular hydrogen;7-(propan-2-ylamino)heptan-2-one
CID 155740570
18-methylnonadecan-2-one
CID 90921447
8-methylnonan-2-one
CID 528744
N-methyl-4-(propan-2-ylamino)butanamide
CID 21054795
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
N'-propan-2-yloctane-1,8-diamine
CID 138605826
2-methyl-6-(propan-2-ylamino)hex-1-en-3-one
CID 116558170
14-methylpentadecane-2,8-dione
CID 159096890
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
5-amino-2-methyl-N-(7-methyloctyl)pentanamide
CID 104684762
ethane;10-(8-methylnonylamino)decan-2-one;molecular hydrogen
CID 169159535

Frequently Asked Questions

What is the IUPAC name of 4-methylpentan-1-amine;5-(propan-2-ylamino)pentan-2-one?
The IUPAC name of 4-methylpentan-1-amine;5-(propan-2-ylamino)pentan-2-one (CID 161037963) is 4-methylpentan-1-amine;5-(propan-2-ylamino)pentan-2-one.
What is the SMILES notation for 4-methylpentan-1-amine;5-(propan-2-ylamino)pentan-2-one?
The canonical SMILES for 4-methylpentan-1-amine;5-(propan-2-ylamino)pentan-2-one is CC(=O)CCCNC(C)C.CC(C)CCCN.
What is the InChIKey of 4-methylpentan-1-amine;5-(propan-2-ylamino)pentan-2-one?
The InChIKey is UAMQSSQEXOTMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C6H15N/c1-7(2)9-6-4-5-8(3)10;1-6(2)4-3-5-7/h7,9H,4-6H2,1-3H3;6H,3-5,7H2,1-2H3.
What are the key properties of 4-methylpentan-1-amine;5-(propan-2-ylamino)pentan-2-one?
4-methylpentan-1-amine;5-(propan-2-ylamino)pentan-2-one has a molecular weight of 244.42 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentan-1-amine;5-(propan-2-ylamino)pentan-2-one is sourced from PubChem (CID 161037963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).