2-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide

C14H26N4O — CID 107471639

IUPAC2-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
SMILESCN(Cc1nccn1C)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C14H26N4O/c1-14(2,3)8-11(9-15)13(19)18(5)10-12-16-6-7-17(12)4/h6-7,11H,8-10,15H2,1-5H3
InChIKeyPBAGPVYLDTUVMY-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.39
Rot. Bonds5

About 2-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide

2-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide (PubChem CID 107471639) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
PubChem CID107471639
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
SMILESCN(Cc1nccn1C)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C14H26N4O/c1-14(2,3)8-11(9-15)13(19)18(5)10-12-16-6-7-17(12)4/h6-7,11H,8-10,15H2,1-5H3
InChIKeyPBAGPVYLDTUVMY-UHFFFAOYSA-N
XLogP1.39
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 107472140
2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 107904600
2-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 114290676
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 79805245
2-N,2,4-trimethyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine
CID 63013012
tert-butyl 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 66338330
5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 113383759
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63015692
2-hydroxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 155954257
2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 114292968

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide (CID 107471639) is 2-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide is CN(Cc1nccn1C)C(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide?
The InChIKey is PBAGPVYLDTUVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-14(2,3)8-11(9-15)13(19)18(5)10-12-16-6-7-17(12)4/h6-7,11H,8-10,15H2,1-5H3.
What are the key properties of 2-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide?
2-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide has a molecular weight of 266.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide is sourced from PubChem (CID 107471639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).