3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pentanamide

C12H26N2O — CID 104828170

IUPAC3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pentanamide
SMILESCCC(CN)CC(=O)NC(C)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-6-10(8-13)7-11(15)14-9(2)12(3,4)5/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyYMSGYBFCSMJWIA-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.91
Rot. Bonds5

About 3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pentanamide

3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pentanamide (PubChem CID 104828170) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pentanamide
PubChem CID104828170
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pentanamide
SMILESCCC(CN)CC(=O)NC(C)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-6-10(8-13)7-11(15)14-9(2)12(3,4)5/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyYMSGYBFCSMJWIA-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-3-yl)pentanamide
CID 106349751
2-amino-N-(3,3-dimethylbutan-2-yl)acetamide
CID 115733734
3-(aminomethyl)pentanehydrazide
CID 81079841
3-(aminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide
CID 81071031
3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 81079509
(2S)-2-[3-(aminomethyl)pentanoylamino]-4-methylpentanoic acid
CID 81087218
3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide
CID 103461469
3-(aminomethyl)-N-(1-cyclohexylethyl)pentanamide
CID 81086978
3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
CID 81080106
3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide
CID 81086542
3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide
CID 81071498
N-(2,2-dimethyl-4-oxopentan-3-yl)-3-ethylpentanamide;ethane
CID 143418595

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pentanamide (CID 104828170) is 3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pentanamide is CCC(CN)CC(=O)NC(C)C(C)(C)C.
What is the InChIKey of 3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pentanamide?
The InChIKey is YMSGYBFCSMJWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-10(8-13)7-11(15)14-9(2)12(3,4)5/h9-10H,6-8,13H2,1-5H3,(H,14,15).
What are the key properties of 3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pentanamide?
3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pentanamide has a molecular weight of 214.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pentanamide is sourced from PubChem (CID 104828170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).