4-(3,3,5-trimethylhex-1-en-2-ylamino)hexan-3-one

C15H29NO — CID 166719655

IUPAC4-(3,3,5-trimethylhex-1-en-2-ylamino)hexan-3-one
SMILESC=C(NC(CC)C(=O)CC)C(C)(C)CC(C)C
InChIInChI=1S/C15H29NO/c1-8-13(14(17)9-2)16-12(5)15(6,7)10-11(3)4/h11,13,16H,5,8-10H2,1-4,6-7H3
InChIKeyVHTFRCVQZPBEMN-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.92
Rot. Bonds8

About 4-(3,3,5-trimethylhex-1-en-2-ylamino)hexan-3-one

4-(3,3,5-trimethylhex-1-en-2-ylamino)hexan-3-one (PubChem CID 166719655) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-(3,3,5-trimethylhex-1-en-2-ylamino)hexan-3-one.

Molecular Properties

Compound Name4-(3,3,5-trimethylhex-1-en-2-ylamino)hexan-3-one
PubChem CID166719655
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-(3,3,5-trimethylhex-1-en-2-ylamino)hexan-3-one
SMILESC=C(NC(CC)C(=O)CC)C(C)(C)CC(C)C
InChIInChI=1S/C15H29NO/c1-8-13(14(17)9-2)16-12(5)15(6,7)10-11(3)4/h11,13,16H,5,8-10H2,1-4,6-7H3
InChIKeyVHTFRCVQZPBEMN-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,5-trimethylhex-1-en-2-ylamino)hexan-3-one?
The IUPAC name of 4-(3,3,5-trimethylhex-1-en-2-ylamino)hexan-3-one (CID 166719655) is 4-(3,3,5-trimethylhex-1-en-2-ylamino)hexan-3-one.
What is the SMILES notation for 4-(3,3,5-trimethylhex-1-en-2-ylamino)hexan-3-one?
The canonical SMILES for 4-(3,3,5-trimethylhex-1-en-2-ylamino)hexan-3-one is C=C(NC(CC)C(=O)CC)C(C)(C)CC(C)C.
What is the InChIKey of 4-(3,3,5-trimethylhex-1-en-2-ylamino)hexan-3-one?
The InChIKey is VHTFRCVQZPBEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-8-13(14(17)9-2)16-12(5)15(6,7)10-11(3)4/h11,13,16H,5,8-10H2,1-4,6-7H3.
What are the key properties of 4-(3,3,5-trimethylhex-1-en-2-ylamino)hexan-3-one?
4-(3,3,5-trimethylhex-1-en-2-ylamino)hexan-3-one has a molecular weight of 239.40 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,5-trimethylhex-1-en-2-ylamino)hexan-3-one is sourced from PubChem (CID 166719655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).