2,2-dimethyl-N-[3-(3-methylhexan-3-ylamino)propyl]propanamide

C15H32N2O — CID 144530466

IUPAC2,2-dimethyl-N-[3-(3-methylhexan-3-ylamino)propyl]propanamide
SMILESCCCC(C)(CC)NCCCNC(=O)C(C)(C)C
InChIInChI=1S/C15H32N2O/c1-7-10-15(6,8-2)17-12-9-11-16-13(18)14(3,4)5/h17H,7-12H2,1-6H3,(H,16,18)
InChIKeyKOJWYOXKBGASGV-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.10
Rot. Bonds8

About 2,2-dimethyl-N-[3-(3-methylhexan-3-ylamino)propyl]propanamide

2,2-dimethyl-N-[3-(3-methylhexan-3-ylamino)propyl]propanamide (PubChem CID 144530466) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(3-methylhexan-3-ylamino)propyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(3-methylhexan-3-ylamino)propyl]propanamide
PubChem CID144530466
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2,2-dimethyl-N-[3-(3-methylhexan-3-ylamino)propyl]propanamide
SMILESCCCC(C)(CC)NCCCNC(=O)C(C)(C)C
InChIInChI=1S/C15H32N2O/c1-7-10-15(6,8-2)17-12-9-11-16-13(18)14(3,4)5/h17H,7-12H2,1-6H3,(H,16,18)
InChIKeyKOJWYOXKBGASGV-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.10
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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Related Compounds

3-amino-N-(2-ethylpentyl)propanamide
CID 18349101
N-[3-(tert-butylamino)propyl]-5,5-dimethylhexanamide
CID 20732636
N-(2-amino-2-ethylbutyl)propanamide
CID 57255195
2,2-dimethyl-N-[(3R)-2,2,5,5-tetramethylhexan-3-yl]propanamide
CID 59102613
N-[(1-aminocyclopentyl)methyl]-2,2-dimethylpropanamide
CID 68411358
N-(3-aminopropyl)-2-ethyl-2-methylbutanamide
CID 88552246
N-[3-(dimethylamino)propyl]-2-ethyl-2,4,4-trimethylpentanamide
CID 88560342
3-amino-N-[1-(ethylamino)-3-methylpentan-3-yl]propanamide
CID 88922692
N-(3-aminopropyl)-2-tert-butyl-2,4,4-trimethylpentanamide
CID 88943018
3-ethyl-3-methyl-N-[3-(2-methylbutan-2-ylamino)propyl]pentanamide
CID 89008828
N-[6-[(2-ethyl-2-methylbutyl)amino]hexyl]propanamide
CID 89020571
3,3-dimethyl-N-[3-(3-methylpentan-3-ylamino)propyl]pentanamide
CID 89244425

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-(3-methylhexan-3-ylamino)propyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-(3-methylhexan-3-ylamino)propyl]propanamide (CID 144530466) is 2,2-dimethyl-N-[3-(3-methylhexan-3-ylamino)propyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-(3-methylhexan-3-ylamino)propyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-(3-methylhexan-3-ylamino)propyl]propanamide is CCCC(C)(CC)NCCCNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[3-(3-methylhexan-3-ylamino)propyl]propanamide?
The InChIKey is KOJWYOXKBGASGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-7-10-15(6,8-2)17-12-9-11-16-13(18)14(3,4)5/h17H,7-12H2,1-6H3,(H,16,18).
What are the key properties of 2,2-dimethyl-N-[3-(3-methylhexan-3-ylamino)propyl]propanamide?
2,2-dimethyl-N-[3-(3-methylhexan-3-ylamino)propyl]propanamide has a molecular weight of 256.43 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(3-methylhexan-3-ylamino)propyl]propanamide is sourced from PubChem (CID 144530466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).