2-(aminomethyl)-N-(2-methoxyethyl)-4,4-dimethyl-N-propan-2-ylpentanamide

C14H30N2O2 — CID 107472614

IUPAC2-(aminomethyl)-N-(2-methoxyethyl)-4,4-dimethyl-N-propan-2-ylpentanamide
SMILESCOCCN(C(=O)C(CN)CC(C)(C)C)C(C)C
InChIInChI=1S/C14H30N2O2/c1-11(2)16(7-8-18-6)13(17)12(10-15)9-14(3,4)5/h11-12H,7-10,15H2,1-6H3
InChIKeyUEFUJMQKMMDBNC-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.88
Rot. Bonds7

About 2-(aminomethyl)-N-(2-methoxyethyl)-4,4-dimethyl-N-propan-2-ylpentanamide

2-(aminomethyl)-N-(2-methoxyethyl)-4,4-dimethyl-N-propan-2-ylpentanamide (PubChem CID 107472614) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methoxyethyl)-4,4-dimethyl-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methoxyethyl)-4,4-dimethyl-N-propan-2-ylpentanamide
PubChem CID107472614
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-(aminomethyl)-N-(2-methoxyethyl)-4,4-dimethyl-N-propan-2-ylpentanamide
SMILESCOCCN(C(=O)C(CN)CC(C)(C)C)C(C)C
InChIInChI=1S/C14H30N2O2/c1-11(2)16(7-8-18-6)13(17)12(10-15)9-14(3,4)5/h11-12H,7-10,15H2,1-6H3
InChIKeyUEFUJMQKMMDBNC-UHFFFAOYSA-N
XLogP1.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide
CID 22690993
1-(2,2-dimethylpropyl)-4-[(2-methoxyacetyl)amino]-N,N-dimethylpiperidine-3-carboxamide
CID 156601816
3-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide
CID 81984580
3-amino-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide
CID 81988933
3-amino-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentanamide
CID 105909980
3-amino-N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethylpentanamide
CID 105909983
2-(aminomethyl)-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide
CID 107472184
2-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethylpentanamide
CID 114127414
(3S,4R)-4-[(2-methoxyacetyl)amino]-N,N-dimethyl-1-neopentylhexahydro-3-pyridinecarboxamide
CID 87051787
N-(1-methoxypropan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide
CID 20614530
(2S)-2-amino-N-[(2S)-1-methoxypropan-2-yl]-4-methylpentanamide
CID 28181208
N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 47003366

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methoxyethyl)-4,4-dimethyl-N-propan-2-ylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methoxyethyl)-4,4-dimethyl-N-propan-2-ylpentanamide (CID 107472614) is 2-(aminomethyl)-N-(2-methoxyethyl)-4,4-dimethyl-N-propan-2-ylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methoxyethyl)-4,4-dimethyl-N-propan-2-ylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methoxyethyl)-4,4-dimethyl-N-propan-2-ylpentanamide is COCCN(C(=O)C(CN)CC(C)(C)C)C(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(2-methoxyethyl)-4,4-dimethyl-N-propan-2-ylpentanamide?
The InChIKey is UEFUJMQKMMDBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-11(2)16(7-8-18-6)13(17)12(10-15)9-14(3,4)5/h11-12H,7-10,15H2,1-6H3.
What are the key properties of 2-(aminomethyl)-N-(2-methoxyethyl)-4,4-dimethyl-N-propan-2-ylpentanamide?
2-(aminomethyl)-N-(2-methoxyethyl)-4,4-dimethyl-N-propan-2-ylpentanamide has a molecular weight of 258.41 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methoxyethyl)-4,4-dimethyl-N-propan-2-ylpentanamide is sourced from PubChem (CID 107472614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).