3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide

C10H22N2O2 — CID 81079509

IUPAC3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide
SMILESCCC(CN)CC(=O)NCC(C)(C)O
InChIInChI=1S/C10H22N2O2/c1-4-8(6-11)5-9(13)12-7-10(2,3)14/h8,14H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyURQRFOBMSMPOJQ-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.25
Rot. Bonds6

About 3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide

3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide (PubChem CID 81079509) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide
PubChem CID81079509
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide
SMILESCCC(CN)CC(=O)NCC(C)(C)O
InChIInChI=1S/C10H22N2O2/c1-4-8(6-11)5-9(13)12-7-10(2,3)14/h8,14H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyURQRFOBMSMPOJQ-UHFFFAOYSA-N
XLogP0.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide
CID 103461469
3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide
CID 106254861
2-[[3-(aminomethyl)pentanoylamino]methyl]-2-ethylbutanoic acid
CID 113308612
3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide
CID 81080690
3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 81086850
3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110778
3-(aminomethyl)-N-butylpentanamide
CID 81071551
3-(aminomethyl)pentanehydrazide
CID 81079841
3-(aminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide
CID 81071031
3-[3-(aminomethyl)pentanoylamino]propanoic acid
CID 81086548
3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide
CID 81080103
3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pentanamide
CID 104828170

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide (CID 81079509) is 3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide is CCC(CN)CC(=O)NCC(C)(C)O.
What is the InChIKey of 3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide?
The InChIKey is URQRFOBMSMPOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-8(6-11)5-9(13)12-7-10(2,3)14/h8,14H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide?
3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide has a molecular weight of 202.30 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide is sourced from PubChem (CID 81079509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).