2,2,4-trimethyl-N-[4-(pent-1-en-2-ylamino)butyl]pentanamide

C17H34N2O — CID 134334597

IUPAC2,2,4-trimethyl-N-[4-(pent-1-en-2-ylamino)butyl]pentanamide
SMILESC=C(CCC)NCCCCNC(=O)C(C)(C)CC(C)C
InChIInChI=1S/C17H34N2O/c1-7-10-15(4)18-11-8-9-12-19-16(20)17(5,6)13-14(2)3/h14,18H,4,7-13H2,1-3,5-6H3,(H,19,20)
InChIKeyDSAUOUUCDACHCB-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.86
Rot. Bonds11

About 2,2,4-trimethyl-N-[4-(pent-1-en-2-ylamino)butyl]pentanamide

2,2,4-trimethyl-N-[4-(pent-1-en-2-ylamino)butyl]pentanamide (PubChem CID 134334597) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2,2,4-trimethyl-N-[4-(pent-1-en-2-ylamino)butyl]pentanamide.

Molecular Properties

Compound Name2,2,4-trimethyl-N-[4-(pent-1-en-2-ylamino)butyl]pentanamide
PubChem CID134334597
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2,2,4-trimethyl-N-[4-(pent-1-en-2-ylamino)butyl]pentanamide
SMILESC=C(CCC)NCCCCNC(=O)C(C)(C)CC(C)C
InChIInChI=1S/C17H34N2O/c1-7-10-15(4)18-11-8-9-12-19-16(20)17(5,6)13-14(2)3/h14,18H,4,7-13H2,1-3,5-6H3,(H,19,20)
InChIKeyDSAUOUUCDACHCB-UHFFFAOYSA-N
XLogP3.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-N-[4-(pent-1-en-2-ylamino)butyl]pentanamide?
The IUPAC name of 2,2,4-trimethyl-N-[4-(pent-1-en-2-ylamino)butyl]pentanamide (CID 134334597) is 2,2,4-trimethyl-N-[4-(pent-1-en-2-ylamino)butyl]pentanamide.
What is the SMILES notation for 2,2,4-trimethyl-N-[4-(pent-1-en-2-ylamino)butyl]pentanamide?
The canonical SMILES for 2,2,4-trimethyl-N-[4-(pent-1-en-2-ylamino)butyl]pentanamide is C=C(CCC)NCCCCNC(=O)C(C)(C)CC(C)C.
What is the InChIKey of 2,2,4-trimethyl-N-[4-(pent-1-en-2-ylamino)butyl]pentanamide?
The InChIKey is DSAUOUUCDACHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-7-10-15(4)18-11-8-9-12-19-16(20)17(5,6)13-14(2)3/h14,18H,4,7-13H2,1-3,5-6H3,(H,19,20).
What are the key properties of 2,2,4-trimethyl-N-[4-(pent-1-en-2-ylamino)butyl]pentanamide?
2,2,4-trimethyl-N-[4-(pent-1-en-2-ylamino)butyl]pentanamide has a molecular weight of 282.47 g/mol, XLogP of 3.86, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-N-[4-(pent-1-en-2-ylamino)butyl]pentanamide is sourced from PubChem (CID 134334597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).