2-amino-N-[8-(propan-2-ylamino)octyl]acetamide

C13H29N3O — CID 154670935

IUPAC2-amino-N-[8-(propan-2-ylamino)octyl]acetamide
SMILESCC(C)NCCCCCCCCNC(=O)CN
InChIInChI=1S/C13H29N3O/c1-12(2)15-9-7-5-3-4-6-8-10-16-13(17)11-14/h12,15H,3-11,14H2,1-2H3,(H,16,17)
InChIKeyZLASWRDTBFPRNG-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.40
Rot. Bonds11

About 2-amino-N-[8-(propan-2-ylamino)octyl]acetamide

2-amino-N-[8-(propan-2-ylamino)octyl]acetamide (PubChem CID 154670935) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-amino-N-[8-(propan-2-ylamino)octyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[8-(propan-2-ylamino)octyl]acetamide
PubChem CID154670935
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-amino-N-[8-(propan-2-ylamino)octyl]acetamide
SMILESCC(C)NCCCCCCCCNC(=O)CN
InChIInChI=1S/C13H29N3O/c1-12(2)15-9-7-5-3-4-6-8-10-16-13(17)11-14/h12,15H,3-11,14H2,1-2H3,(H,16,17)
InChIKeyZLASWRDTBFPRNG-UHFFFAOYSA-N
XLogP1.40
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.40
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

acetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide
CID 54606253
2-amino-N-[8-(methylamino)octyl]acetamide
CID 154671547
2-[methyl(propan-2-yl)amino]-N-[6-(propan-2-ylamino)hexyl]acetamide
CID 156819537
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-[5-[(2-aminoacetyl)amino]pentyl]-2-tert-butyl-3,3-dimethylbutanamide
CID 130333097
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen
CID 162749920
N'-propan-2-yloctane-1,8-diamine
CID 138605826
N-butyl-4-(propan-2-ylamino)butanamide
CID 60851986
N'-(2-methylpropyl)-N-[3-(propan-2-ylamino)propyl]propanediamide
CID 177260546
molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide
CID 166554721

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[8-(propan-2-ylamino)octyl]acetamide?
The IUPAC name of 2-amino-N-[8-(propan-2-ylamino)octyl]acetamide (CID 154670935) is 2-amino-N-[8-(propan-2-ylamino)octyl]acetamide.
What is the SMILES notation for 2-amino-N-[8-(propan-2-ylamino)octyl]acetamide?
The canonical SMILES for 2-amino-N-[8-(propan-2-ylamino)octyl]acetamide is CC(C)NCCCCCCCCNC(=O)CN.
What is the InChIKey of 2-amino-N-[8-(propan-2-ylamino)octyl]acetamide?
The InChIKey is ZLASWRDTBFPRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-12(2)15-9-7-5-3-4-6-8-10-16-13(17)11-14/h12,15H,3-11,14H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[8-(propan-2-ylamino)octyl]acetamide?
2-amino-N-[8-(propan-2-ylamino)octyl]acetamide has a molecular weight of 243.39 g/mol, XLogP of 1.40, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[8-(propan-2-ylamino)octyl]acetamide is sourced from PubChem (CID 154670935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).