4-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-methylbutanamide

C13H29N3O — CID 63891389

IUPAC4-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-methylbutanamide
SMILESCCCN(CCCC(=O)NC)C(C)(CC)CN
InChIInChI=1S/C13H29N3O/c1-5-9-16(13(3,6-2)11-14)10-7-8-12(17)15-4/h5-11,14H2,1-4H3,(H,15,17)
InChIKeyDMAUXPSBFJZBBB-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.35
Rot. Bonds9

About 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-methylbutanamide

4-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-methylbutanamide (PubChem CID 63891389) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-methylbutanamide.

Molecular Properties

Compound Name4-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-methylbutanamide
PubChem CID63891389
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name4-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-methylbutanamide
SMILESCCCN(CCCC(=O)NC)C(C)(CC)CN
InChIInChI=1S/C13H29N3O/c1-5-9-16(13(3,6-2)11-14)10-7-8-12(17)15-4/h5-11,14H2,1-4H3,(H,15,17)
InChIKeyDMAUXPSBFJZBBB-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine
CID 114524991
2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine
CID 62007992
2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide
CID 62008778
4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol
CID 79360585
N-methylheptacosanamide
CID 18175889
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450
4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide
CID 104556890
ethane;N-methyltetradecanamide
CID 153349961
4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol
CID 62008969
N-methyl-8-[methyl(propyl)amino]octanamide
CID 88909699
3-(dipropylamino)-N-methylpropanamide
CID 90814262

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-methylbutanamide?
The IUPAC name of 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-methylbutanamide (CID 63891389) is 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-methylbutanamide.
What is the SMILES notation for 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-methylbutanamide?
The canonical SMILES for 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-methylbutanamide is CCCN(CCCC(=O)NC)C(C)(CC)CN.
What is the InChIKey of 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-methylbutanamide?
The InChIKey is DMAUXPSBFJZBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-9-16(13(3,6-2)11-14)10-7-8-12(17)15-4/h5-11,14H2,1-4H3,(H,15,17).
What are the key properties of 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-methylbutanamide?
4-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-methylbutanamide has a molecular weight of 243.39 g/mol, XLogP of 1.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-methylbutanamide is sourced from PubChem (CID 63891389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).