2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methylbutyl)propanamide

C13H29N3O — CID 82937505

IUPAC2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)NC(C)CN(C)C
InChIInChI=1S/C13H29N3O/c1-10(2)7-8-14-13(17)12(4)15-11(3)9-16(5)6/h10-12,15H,7-9H2,1-6H3,(H,14,17)
InChIKeyJAMONUOCDODNMG-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.08
Rot. Bonds8

About 2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methylbutyl)propanamide

2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methylbutyl)propanamide (PubChem CID 82937505) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methylbutyl)propanamide
PubChem CID82937505
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)NC(C)CN(C)C
InChIInChI=1S/C13H29N3O/c1-10(2)7-8-14-13(17)12(4)15-11(3)9-16(5)6/h10-12,15H,7-9H2,1-6H3,(H,14,17)
InChIKeyJAMONUOCDODNMG-UHFFFAOYSA-N
XLogP1.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide
CID 43372144
2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methoxypropyl)propanamide
CID 82937481
N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide
CID 61476708
2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide
CID 61247605
2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide
CID 82938141
2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466192
N-(3-methylbutyl)-1-phosphanylformamide
CID 143734498
1,3-bis(3-methylbutyl)urea
CID 22563958
N,N-dimethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide
CID 54957153
N-(3-methylbutyl)-2-[(1-methylcyclopentyl)amino]propanamide
CID 61364600
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
N-(2-methylpropyl)-2-(pentan-2-ylamino)propanamide
CID 43087379

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methylbutyl)propanamide (CID 82937505) is 2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)NC(C)CN(C)C.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methylbutyl)propanamide?
The InChIKey is JAMONUOCDODNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-10(2)7-8-14-13(17)12(4)15-11(3)9-16(5)6/h10-12,15H,7-9H2,1-6H3,(H,14,17).
What are the key properties of 2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methylbutyl)propanamide?
2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methylbutyl)propanamide has a molecular weight of 243.39 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 82937505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).