2-[methyl(propan-2-yl)amino]-N-[6-(propan-2-ylamino)hexyl]acetamide

C15H33N3O — CID 156819537

IUPAC2-[methyl(propan-2-yl)amino]-N-[6-(propan-2-ylamino)hexyl]acetamide
SMILESCC(C)NCCCCCCNC(=O)CN(C)C(C)C
InChIInChI=1S/C15H33N3O/c1-13(2)16-10-8-6-7-9-11-17-15(19)12-18(5)14(3)4/h13-14,16H,6-12H2,1-5H3,(H,17,19)
InChIKeyBTVWCYIHXYLGGY-UHFFFAOYSA-N
MW271.45 g/mol
LogP2.00
Rot. Bonds11

About 2-[methyl(propan-2-yl)amino]-N-[6-(propan-2-ylamino)hexyl]acetamide

2-[methyl(propan-2-yl)amino]-N-[6-(propan-2-ylamino)hexyl]acetamide (PubChem CID 156819537) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-[methyl(propan-2-yl)amino]-N-[6-(propan-2-ylamino)hexyl]acetamide.

Molecular Properties

Compound Name2-[methyl(propan-2-yl)amino]-N-[6-(propan-2-ylamino)hexyl]acetamide
PubChem CID156819537
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name2-[methyl(propan-2-yl)amino]-N-[6-(propan-2-ylamino)hexyl]acetamide
SMILESCC(C)NCCCCCCNC(=O)CN(C)C(C)C
InChIInChI=1S/C15H33N3O/c1-13(2)16-10-8-6-7-9-11-17-15(19)12-18(5)14(3)4/h13-14,16H,6-12H2,1-5H3,(H,17,19)
InChIKeyBTVWCYIHXYLGGY-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[8-(propan-2-ylamino)octyl]acetamide
CID 154670935
6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide
CID 168958989
N'-(2-methylpropyl)-N-[3-(propan-2-ylamino)propyl]propanediamide
CID 177260546
8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide
CID 178094356
N-butyl-2-[methyl-[2-[methyl-[2-[methyl(propan-2-yl)amino]acetyl]amino]acetyl]amino]acetamide
CID 177167159
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide
CID 60952989
N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine
CID 138492017
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen
CID 162749920
N-methyl-2-[methyl(propan-2-yl)amino]acetamide
CID 89311183
N-butyl-4-(propan-2-ylamino)butanamide
CID 60851986
2-[methyl(2-methylpropyl)amino]-N-(7-methyloctyl)acetamide
CID 156547005

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propan-2-yl)amino]-N-[6-(propan-2-ylamino)hexyl]acetamide?
The IUPAC name of 2-[methyl(propan-2-yl)amino]-N-[6-(propan-2-ylamino)hexyl]acetamide (CID 156819537) is 2-[methyl(propan-2-yl)amino]-N-[6-(propan-2-ylamino)hexyl]acetamide.
What is the SMILES notation for 2-[methyl(propan-2-yl)amino]-N-[6-(propan-2-ylamino)hexyl]acetamide?
The canonical SMILES for 2-[methyl(propan-2-yl)amino]-N-[6-(propan-2-ylamino)hexyl]acetamide is CC(C)NCCCCCCNC(=O)CN(C)C(C)C.
What is the InChIKey of 2-[methyl(propan-2-yl)amino]-N-[6-(propan-2-ylamino)hexyl]acetamide?
The InChIKey is BTVWCYIHXYLGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-13(2)16-10-8-6-7-9-11-17-15(19)12-18(5)14(3)4/h13-14,16H,6-12H2,1-5H3,(H,17,19).
What are the key properties of 2-[methyl(propan-2-yl)amino]-N-[6-(propan-2-ylamino)hexyl]acetamide?
2-[methyl(propan-2-yl)amino]-N-[6-(propan-2-ylamino)hexyl]acetamide has a molecular weight of 271.45 g/mol, XLogP of 2.00, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yl)amino]-N-[6-(propan-2-ylamino)hexyl]acetamide is sourced from PubChem (CID 156819537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).