3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide

C13H29N3O — CID 114134084

IUPAC3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide
SMILESCCC(CN)CC(=O)NCCN(C)C(C)CC
InChIInChI=1S/C13H29N3O/c1-5-11(3)16(4)8-7-15-13(17)9-12(6-2)10-14/h11-12H,5-10,14H2,1-4H3,(H,15,17)
InChIKeyUXUGNJCVFOCUOA-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.21
Rot. Bonds9

About 3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide

3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide (PubChem CID 114134084) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide
PubChem CID114134084
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide
SMILESCCC(CN)CC(=O)NCCN(C)C(C)CC
InChIInChI=1S/C13H29N3O/c1-5-11(3)16(4)8-7-15-13(17)9-12(6-2)10-14/h11-12H,5-10,14H2,1-4H3,(H,15,17)
InChIKeyUXUGNJCVFOCUOA-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 81070103
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-4-methylpentanamide
CID 107143404
4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]butanamide;dihydrochloride
CID 119874323
3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide
CID 81070117
3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110778
3-(aminomethyl)-N-butylpentanamide
CID 81071551
2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide
CID 107269526
3-[3-(aminomethyl)pentanoylamino]propanoic acid
CID 81086548
(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide
CID 103814253
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120704264
3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide
CID 81075818
3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide
CID 81086542

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide (CID 114134084) is 3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide is CCC(CN)CC(=O)NCCN(C)C(C)CC.
What is the InChIKey of 3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide?
The InChIKey is UXUGNJCVFOCUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-11(3)16(4)8-7-15-13(17)9-12(6-2)10-14/h11-12H,5-10,14H2,1-4H3,(H,15,17).
What are the key properties of 3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide?
3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide has a molecular weight of 243.39 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide is sourced from PubChem (CID 114134084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).