3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide

C13H27N3O2 — CID 81086542

IUPAC3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide
SMILESCCC(CN)CC(=O)NCCC(=O)NC(C)CC
InChIInChI=1S/C13H27N3O2/c1-4-10(3)16-12(17)6-7-15-13(18)8-11(5-2)9-14/h10-11H,4-9,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyGQGITVAGMHPAOC-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.78
Rot. Bonds9

About 3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide

3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide (PubChem CID 81086542) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide
PubChem CID81086542
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide
SMILESCCC(CN)CC(=O)NCCC(=O)NC(C)CC
InChIInChI=1S/C13H27N3O2/c1-4-10(3)16-12(17)6-7-15-13(18)8-11(5-2)9-14/h10-11H,4-9,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyGQGITVAGMHPAOC-UHFFFAOYSA-N
XLogP0.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(aminomethyl)pentanoylamino]propanoic acid
CID 81086548
3-(aminomethyl)-N-butylpentanamide
CID 81071551
3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide
CID 81075818
3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110778
4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 120560806
4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 54900854
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79192929
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119297115
3-amino-4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 64896520
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 81070103
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
3-(aminomethyl)-N-(7-methyloctyl)pentanamide
CID 81086572

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide (CID 81086542) is 3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide is CCC(CN)CC(=O)NCCC(=O)NC(C)CC.
What is the InChIKey of 3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide?
The InChIKey is GQGITVAGMHPAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-10(3)16-12(17)6-7-15-13(18)8-11(5-2)9-14/h10-11H,4-9,14H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide?
3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide has a molecular weight of 257.38 g/mol, XLogP of 0.78, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide is sourced from PubChem (CID 81086542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).