3-(aminomethyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpentanamide

C14H29N3O2 — CID 81087093

IUPAC3-(aminomethyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpentanamide
SMILESCCCNC(=O)CN(CCC)C(=O)CC(CC)CN
InChIInChI=1S/C14H29N3O2/c1-4-7-16-13(18)11-17(8-5-2)14(19)9-12(6-3)10-15/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyDSKKSONRQGJXBO-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.13
Rot. Bonds10

About 3-(aminomethyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpentanamide

3-(aminomethyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpentanamide (PubChem CID 81087093) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpentanamide
PubChem CID81087093
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name3-(aminomethyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpentanamide
SMILESCCCNC(=O)CN(CCC)C(=O)CC(CC)CN
InChIInChI=1S/C14H29N3O2/c1-4-7-16-13(18)11-17(8-5-2)14(19)9-12(6-3)10-15/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyDSKKSONRQGJXBO-UHFFFAOYSA-N
XLogP1.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide
CID 81087870
3-(aminomethyl)-N-(2-hydroxyethyl)-N-propylpentanamide
CID 81086704
3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid
CID 62965075
2-[(2-bromoacetyl)-propylamino]-N-propylacetamide
CID 63679327
3-(aminomethyl)-N-butylpentanamide
CID 81071551
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 81070103
3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide
CID 114134084
3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide
CID 81070117
3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110778
3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide
CID 81071498
3-[3-(aminomethyl)pentanoylamino]propanoic acid
CID 81086548
(2S)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propylhexanamide
CID 93373549

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpentanamide?
The IUPAC name of 3-(aminomethyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpentanamide (CID 81087093) is 3-(aminomethyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpentanamide is CCCNC(=O)CN(CCC)C(=O)CC(CC)CN.
What is the InChIKey of 3-(aminomethyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpentanamide?
The InChIKey is DSKKSONRQGJXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-4-7-16-13(18)11-17(8-5-2)14(19)9-12(6-3)10-15/h12H,4-11,15H2,1-3H3,(H,16,18).
What are the key properties of 3-(aminomethyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpentanamide?
3-(aminomethyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpentanamide has a molecular weight of 271.40 g/mol, XLogP of 1.13, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpentanamide is sourced from PubChem (CID 81087093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).