5-(2-aminopropan-2-yl)-2,4-dimethylundec-1-en-3-one

C16H31NO — CID 21279920

IUPAC5-(2-aminopropan-2-yl)-2,4-dimethylundec-1-en-3-one
SMILESC=C(C)C(=O)C(C)C(CCCCCC)C(C)(C)N
InChIInChI=1S/C16H31NO/c1-7-8-9-10-11-14(16(5,6)17)13(4)15(18)12(2)3/h13-14H,2,7-11,17H2,1,3-6H3
InChIKeyLNUNHPAJYWKFIN-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.09
Rot. Bonds9

About 5-(2-aminopropan-2-yl)-2,4-dimethylundec-1-en-3-one

5-(2-aminopropan-2-yl)-2,4-dimethylundec-1-en-3-one (PubChem CID 21279920) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-2,4-dimethylundec-1-en-3-one.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-2,4-dimethylundec-1-en-3-one
PubChem CID21279920
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name5-(2-aminopropan-2-yl)-2,4-dimethylundec-1-en-3-one
SMILESC=C(C)C(=O)C(C)C(CCCCCC)C(C)(C)N
InChIInChI=1S/C16H31NO/c1-7-8-9-10-11-14(16(5,6)17)13(4)15(18)12(2)3/h13-14H,2,7-11,17H2,1,3-6H3
InChIKeyLNUNHPAJYWKFIN-UHFFFAOYSA-N
XLogP4.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

decane;2-methyl-4-nonyltetradec-1-en-3-one
CID 160597515
3-(2-aminopropan-2-yl)nonan-2-ol
CID 87504447
3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride
CID 175072736
acetic acid;2,3-dimethylundecan-2-amine
CID 173175122
5-(2-aminopropan-2-yl)-4-ethylpentadec-1-en-3-one;hydrobromide
CID 175055341
4-(2-methylprop-2-enoyl)dodecane-2-sulfonic acid
CID 151546395
2,3-dimethyldecan-2-amine;propanoic acid
CID 173175223
4-tert-butyldodecyl 2-methylprop-2-enoate
CID 151688147
N-[4-(2-aminopropan-2-yl)decan-3-yl]prop-2-enamide;hydroiodide
CID 173323474
2-methylprop-2-enoic acid;octan-2-ol
CID 174649051
2,3-dimethylhexadecan-2-amine
CID 87479269
dodecane;bis(2-methylprop-2-enamide)
CID 87149534

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-2,4-dimethylundec-1-en-3-one?
The IUPAC name of 5-(2-aminopropan-2-yl)-2,4-dimethylundec-1-en-3-one (CID 21279920) is 5-(2-aminopropan-2-yl)-2,4-dimethylundec-1-en-3-one.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-2,4-dimethylundec-1-en-3-one?
The canonical SMILES for 5-(2-aminopropan-2-yl)-2,4-dimethylundec-1-en-3-one is C=C(C)C(=O)C(C)C(CCCCCC)C(C)(C)N.
What is the InChIKey of 5-(2-aminopropan-2-yl)-2,4-dimethylundec-1-en-3-one?
The InChIKey is LNUNHPAJYWKFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-7-8-9-10-11-14(16(5,6)17)13(4)15(18)12(2)3/h13-14H,2,7-11,17H2,1,3-6H3.
What are the key properties of 5-(2-aminopropan-2-yl)-2,4-dimethylundec-1-en-3-one?
5-(2-aminopropan-2-yl)-2,4-dimethylundec-1-en-3-one has a molecular weight of 253.43 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropan-2-yl)-2,4-dimethylundec-1-en-3-one is sourced from PubChem (CID 21279920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).