4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide

C13H29N3O — CID 63053272

IUPAC4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide
SMILESCCCCN(CCC(NC)C(N)=O)C(C)CC
InChIInChI=1S/C13H29N3O/c1-5-7-9-16(11(3)6-2)10-8-12(15-4)13(14)17/h11-12,15H,5-10H2,1-4H3,(H2,14,17)
InChIKeyPMVVGVHTBAQSFO-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.35
Rot. Bonds10

About 4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide

4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide (PubChem CID 63053272) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide.

Molecular Properties

Compound Name4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide
PubChem CID63053272
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide
SMILESCCCCN(CCC(NC)C(N)=O)C(C)CC
InChIInChI=1S/C13H29N3O/c1-5-7-9-16(11(3)6-2)10-8-12(15-4)13(14)17/h11-12,15H,5-10H2,1-4H3,(H2,14,17)
InChIKeyPMVVGVHTBAQSFO-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid
CID 63053630
methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate
CID 63054156
4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid
CID 55145482
3-[butan-2-yl(butyl)amino]propanamide
CID 60648074
4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide
CID 103190946
4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide
CID 63027471
3-[butan-2-yl(butyl)amino]propanehydrazide
CID 63577909
2,5-bis(methylamino)hexanediamide
CID 66221520
1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol
CID 64818690
4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanamide
CID 63028616
4-butan-2-ylsulfanyl-2-(methylamino)butanamide
CID 63034115
N'-butan-2-yl-N'-butyl-2-ethylbutane-1,4-diamine
CID 81080597

Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide?
The IUPAC name of 4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide (CID 63053272) is 4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide.
What is the SMILES notation for 4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide?
The canonical SMILES for 4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide is CCCCN(CCC(NC)C(N)=O)C(C)CC.
What is the InChIKey of 4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide?
The InChIKey is PMVVGVHTBAQSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-7-9-16(11(3)6-2)10-8-12(15-4)13(14)17/h11-12,15H,5-10H2,1-4H3,(H2,14,17).
What are the key properties of 4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide?
4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide has a molecular weight of 243.39 g/mol, XLogP of 1.35, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide is sourced from PubChem (CID 63053272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).