3-[propan-2-yl-[2-(propan-2-ylamino)ethyl]amino]-N-propylpropanamide

C14H31N3O — CID 58040516

IUPAC3-[propan-2-yl-[2-(propan-2-ylamino)ethyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCN(CCNC(C)C)C(C)C
InChIInChI=1S/C14H31N3O/c1-6-8-16-14(18)7-10-17(13(4)5)11-9-15-12(2)3/h12-13,15H,6-11H2,1-5H3,(H,16,18)
InChIKeyHFOBEHYOMRYOIA-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.61
Rot. Bonds10

About 3-[propan-2-yl-[2-(propan-2-ylamino)ethyl]amino]-N-propylpropanamide

3-[propan-2-yl-[2-(propan-2-ylamino)ethyl]amino]-N-propylpropanamide (PubChem CID 58040516) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-[propan-2-yl-[2-(propan-2-ylamino)ethyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[propan-2-yl-[2-(propan-2-ylamino)ethyl]amino]-N-propylpropanamide
PubChem CID58040516
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name3-[propan-2-yl-[2-(propan-2-ylamino)ethyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCN(CCNC(C)C)C(C)C
InChIInChI=1S/C14H31N3O/c1-6-8-16-14(18)7-10-17(13(4)5)11-9-15-12(2)3/h12-13,15H,6-11H2,1-5H3,(H,16,18)
InChIKeyHFOBEHYOMRYOIA-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(propan-2-yl)amino]-N-propylpropanamide
CID 170366588
N-ethyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide
CID 62326642
N-butyl-4-(propan-2-ylamino)butanamide
CID 60851986
N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide
CID 60849509
3-[acetyl(2-methylpropyl)amino]-N-propylpropanamide
CID 113115907
3-[butyl(methyl)amino]-N-propylpropanamide
CID 108795247
3-[acetyl(butyl)amino]-N-propylpropanamide
CID 113115710
N'-(2-methoxyethyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine
CID 82949090
propan-2-yl-[2-(propan-2-ylamino)ethyl]carbamic acid
CID 87488169
N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
CID 60853066
(4R)-4-amino-N-propylpentanamide
CID 146234117
2-[acetyl(propan-2-yl)amino]-N-propylacetamide
CID 113158097

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-[2-(propan-2-ylamino)ethyl]amino]-N-propylpropanamide?
The IUPAC name of 3-[propan-2-yl-[2-(propan-2-ylamino)ethyl]amino]-N-propylpropanamide (CID 58040516) is 3-[propan-2-yl-[2-(propan-2-ylamino)ethyl]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[propan-2-yl-[2-(propan-2-ylamino)ethyl]amino]-N-propylpropanamide?
The canonical SMILES for 3-[propan-2-yl-[2-(propan-2-ylamino)ethyl]amino]-N-propylpropanamide is CCCNC(=O)CCN(CCNC(C)C)C(C)C.
What is the InChIKey of 3-[propan-2-yl-[2-(propan-2-ylamino)ethyl]amino]-N-propylpropanamide?
The InChIKey is HFOBEHYOMRYOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-6-8-16-14(18)7-10-17(13(4)5)11-9-15-12(2)3/h12-13,15H,6-11H2,1-5H3,(H,16,18).
What are the key properties of 3-[propan-2-yl-[2-(propan-2-ylamino)ethyl]amino]-N-propylpropanamide?
3-[propan-2-yl-[2-(propan-2-ylamino)ethyl]amino]-N-propylpropanamide has a molecular weight of 257.42 g/mol, XLogP of 1.61, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-[2-(propan-2-ylamino)ethyl]amino]-N-propylpropanamide is sourced from PubChem (CID 58040516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).