(4R)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one

C14H27NO — CID 58307983

IUPAC(4R)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one
SMILESC=CCCC[C@@](C)(NC(C)C)C(=O)C(C)C
InChIInChI=1S/C14H27NO/c1-7-8-9-10-14(6,15-12(4)5)13(16)11(2)3/h7,11-12,15H,1,8-10H2,2-6H3/t14-/m1/s1
InChIKeyHQKSXLVEJVLVNA-CQSZACIVSA-N
MW225.38 g/mol
LogP3.32
Rot. Bonds8

About (4R)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one

(4R)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one (PubChem CID 58307983) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (4R)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one.

Molecular Properties

Compound Name(4R)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one
PubChem CID58307983
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(4R)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one
SMILESC=CCCC[C@@](C)(NC(C)C)C(=O)C(C)C
InChIInChI=1S/C14H27NO/c1-7-8-9-10-14(6,15-12(4)5)13(16)11(2)3/h7,11-12,15H,1,8-10H2,2-6H3/t14-/m1/s1
InChIKeyHQKSXLVEJVLVNA-CQSZACIVSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one?
The IUPAC name of (4R)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one (CID 58307983) is (4R)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one.
What is the SMILES notation for (4R)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one?
The canonical SMILES for (4R)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one is C=CCCC[C@@](C)(NC(C)C)C(=O)C(C)C.
What is the InChIKey of (4R)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one?
The InChIKey is HQKSXLVEJVLVNA-CQSZACIVSA-N. The full InChI is InChI=1S/C14H27NO/c1-7-8-9-10-14(6,15-12(4)5)13(16)11(2)3/h7,11-12,15H,1,8-10H2,2-6H3/t14-/m1/s1.
What are the key properties of (4R)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one?
(4R)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one has a molecular weight of 225.38 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one is sourced from PubChem (CID 58307983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).