2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide

C14H30N4O — CID 107441533

IUPAC2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NCC(CN)C(C)C)CC1
InChIInChI=1S/C14H30N4O/c1-11(2)12(8-15)9-17-13-4-6-18(7-5-13)10-14(19)16-3/h11-13,17H,4-10,15H2,1-3H3,(H,16,19)
InChIKeyVRAQLQJYDAPEMY-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.02
Rot. Bonds7

About 2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide

2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide (PubChem CID 107441533) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide
PubChem CID107441533
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NCC(CN)C(C)C)CC1
InChIInChI=1S/C14H30N4O/c1-11(2)12(8-15)9-17-13-4-6-18(7-5-13)10-14(19)16-3/h11-13,17H,4-10,15H2,1-3H3,(H,16,19)
InChIKeyVRAQLQJYDAPEMY-UHFFFAOYSA-N
XLogP0.02
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-ethylbutylamino)piperidin-1-yl]-N-methylacetamide
CID 43435262
N-methyl-2-[4-(2-methylpentylamino)piperidin-1-yl]acetamide
CID 43691410
4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide
CID 81075421
tert-butyl 4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidine-1-carboxylate
CID 107442932
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 43704790
2-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide
CID 65225141
2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide
CID 43691450
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide
CID 107441337
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930
3-(cyclopropylamino)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60866717
2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide
CID 62536800
2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide (CID 107441533) is 2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NCC(CN)C(C)C)CC1.
What is the InChIKey of 2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is VRAQLQJYDAPEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-11(2)12(8-15)9-17-13-4-6-18(7-5-13)10-14(19)16-3/h11-13,17H,4-10,15H2,1-3H3,(H,16,19).
What are the key properties of 2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide?
2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 270.42 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 107441533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).