6-(propan-2-ylamino)-N-[2-(2,4,4-trimethylpentylamino)ethyl]hexanamide

C19H41N3O — CID 129083201

IUPAC6-(propan-2-ylamino)-N-[2-(2,4,4-trimethylpentylamino)ethyl]hexanamide
SMILESCC(CNCCNC(=O)CCCCCNC(C)C)CC(C)(C)C
InChIInChI=1S/C19H41N3O/c1-16(2)21-11-9-7-8-10-18(23)22-13-12-20-15-17(3)14-19(4,5)6/h16-17,20-21H,7-15H2,1-6H3,(H,22,23)
InChIKeyIZXMVWNDWKJEPD-UHFFFAOYSA-N
MW327.56 g/mol
LogP3.32
Rot. Bonds13

About 6-(propan-2-ylamino)-N-[2-(2,4,4-trimethylpentylamino)ethyl]hexanamide

6-(propan-2-ylamino)-N-[2-(2,4,4-trimethylpentylamino)ethyl]hexanamide (PubChem CID 129083201) has the molecular formula C19H41N3O and a molecular weight of 327.56 g/mol. Its IUPAC name is 6-(propan-2-ylamino)-N-[2-(2,4,4-trimethylpentylamino)ethyl]hexanamide.

Molecular Properties

Compound Name6-(propan-2-ylamino)-N-[2-(2,4,4-trimethylpentylamino)ethyl]hexanamide
PubChem CID129083201
Molecular FormulaC19H41N3O
Molecular Weight327.56 g/mol
Exact Mass327.32
IUPAC Name6-(propan-2-ylamino)-N-[2-(2,4,4-trimethylpentylamino)ethyl]hexanamide
SMILESCC(CNCCNC(=O)CCCCCNC(C)C)CC(C)(C)C
InChIInChI=1S/C19H41N3O/c1-16(2)21-11-9-7-8-10-18(23)22-13-12-20-15-17(3)14-19(4,5)6/h16-17,20-21H,7-15H2,1-6H3,(H,22,23)
InChIKeyIZXMVWNDWKJEPD-UHFFFAOYSA-N
XLogP3.32
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.56
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 146802070
8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide
CID 178094356
6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide
CID 168958989
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
N-[2-(2-hydroxypropylamino)ethyl]-3,5,5-trimethylhexanamide
CID 113430451
N-butyl-4-(propan-2-ylamino)butanamide
CID 60851986
molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide
CID 166554721
4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide
CID 20668910
4,4-dimethyl-2-[[3-(propan-2-ylamino)propanoylamino]methyl]pentanoic acid
CID 107475566
N-methyl-4-(propan-2-ylamino)butanamide
CID 21054795
N-(2-ethoxyethyl)-4-(propan-2-ylamino)butanamide
CID 60850792

Frequently Asked Questions

What is the IUPAC name of 6-(propan-2-ylamino)-N-[2-(2,4,4-trimethylpentylamino)ethyl]hexanamide?
The IUPAC name of 6-(propan-2-ylamino)-N-[2-(2,4,4-trimethylpentylamino)ethyl]hexanamide (CID 129083201) is 6-(propan-2-ylamino)-N-[2-(2,4,4-trimethylpentylamino)ethyl]hexanamide.
What is the SMILES notation for 6-(propan-2-ylamino)-N-[2-(2,4,4-trimethylpentylamino)ethyl]hexanamide?
The canonical SMILES for 6-(propan-2-ylamino)-N-[2-(2,4,4-trimethylpentylamino)ethyl]hexanamide is CC(CNCCNC(=O)CCCCCNC(C)C)CC(C)(C)C.
What is the InChIKey of 6-(propan-2-ylamino)-N-[2-(2,4,4-trimethylpentylamino)ethyl]hexanamide?
The InChIKey is IZXMVWNDWKJEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N3O/c1-16(2)21-11-9-7-8-10-18(23)22-13-12-20-15-17(3)14-19(4,5)6/h16-17,20-21H,7-15H2,1-6H3,(H,22,23).
What are the key properties of 6-(propan-2-ylamino)-N-[2-(2,4,4-trimethylpentylamino)ethyl]hexanamide?
6-(propan-2-ylamino)-N-[2-(2,4,4-trimethylpentylamino)ethyl]hexanamide has a molecular weight of 327.56 g/mol, XLogP of 3.32, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-ylamino)-N-[2-(2,4,4-trimethylpentylamino)ethyl]hexanamide is sourced from PubChem (CID 129083201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).