(2S)-N-(aminomethyl)-2-[ethyl(methyl)amino]propanamide

C7H17N3O — CID 174564655

IUPAC(2S)-N-(aminomethyl)-2-[ethyl(methyl)amino]propanamide
SMILESCCN(C)[C@@H](C)C(=O)NCN
InChIInChI=1S/C7H17N3O/c1-4-10(3)6(2)7(11)9-5-8/h6H,4-5,8H2,1-3H3,(H,9,11)/t6-/m0/s1
InChIKeyKSRAJCRPQDFCIO-LURJTMIESA-N
MW159.23 g/mol
LogP-0.64
Rot. Bonds4

About (2S)-N-(aminomethyl)-2-[ethyl(methyl)amino]propanamide

(2S)-N-(aminomethyl)-2-[ethyl(methyl)amino]propanamide (PubChem CID 174564655) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is (2S)-N-(aminomethyl)-2-[ethyl(methyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(aminomethyl)-2-[ethyl(methyl)amino]propanamide
PubChem CID174564655
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name(2S)-N-(aminomethyl)-2-[ethyl(methyl)amino]propanamide
SMILESCCN(C)[C@@H](C)C(=O)NCN
InChIInChI=1S/C7H17N3O/c1-4-10(3)6(2)7(11)9-5-8/h6H,4-5,8H2,1-3H3,(H,9,11)/t6-/m0/s1
InChIKeyKSRAJCRPQDFCIO-LURJTMIESA-N
XLogP-0.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(aminomethyl)-2-methylpropanamide
CID 88582106
ethane;2-[ethyl(methyl)amino]propanamide
CID 176567778
ethane;3-[ethyl(methyl)amino]butan-2-one
CID 177194341
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43262968
2-[4-aminobutan-2-yl(methyl)amino]-N-ethylpropanamide
CID 63225487
2-[2-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide
CID 63758993
methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate
CID 60677105
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-butylpropanamide
CID 60922998
2-[4-aminobutan-2-yl(methyl)amino]-N-butylpropanamide
CID 63225439
2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide
CID 43458316
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-pentylpropanamide
CID 60922852
2-[2-hydroxyethyl(methyl)amino]-N-(2-methylpropyl)propanamide
CID 60683962

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(aminomethyl)-2-[ethyl(methyl)amino]propanamide?
The IUPAC name of (2S)-N-(aminomethyl)-2-[ethyl(methyl)amino]propanamide (CID 174564655) is (2S)-N-(aminomethyl)-2-[ethyl(methyl)amino]propanamide.
What is the SMILES notation for (2S)-N-(aminomethyl)-2-[ethyl(methyl)amino]propanamide?
The canonical SMILES for (2S)-N-(aminomethyl)-2-[ethyl(methyl)amino]propanamide is CCN(C)[C@@H](C)C(=O)NCN.
What is the InChIKey of (2S)-N-(aminomethyl)-2-[ethyl(methyl)amino]propanamide?
The InChIKey is KSRAJCRPQDFCIO-LURJTMIESA-N. The full InChI is InChI=1S/C7H17N3O/c1-4-10(3)6(2)7(11)9-5-8/h6H,4-5,8H2,1-3H3,(H,9,11)/t6-/m0/s1.
What are the key properties of (2S)-N-(aminomethyl)-2-[ethyl(methyl)amino]propanamide?
(2S)-N-(aminomethyl)-2-[ethyl(methyl)amino]propanamide has a molecular weight of 159.23 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(aminomethyl)-2-[ethyl(methyl)amino]propanamide is sourced from PubChem (CID 174564655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).