2-methyl-N-[2-(propylamino)ethyl]butanamide

C10H22N2O — CID 62658824

IUPAC2-methyl-N-[2-(propylamino)ethyl]butanamide
SMILESCCCNCCNC(=O)C(C)CC
InChIInChI=1S/C10H22N2O/c1-4-6-11-7-8-12-10(13)9(3)5-2/h9,11H,4-8H2,1-3H3,(H,12,13)
InChIKeyRLSPSLRZATUARQ-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.15
Rot. Bonds7

About 2-methyl-N-[2-(propylamino)ethyl]butanamide

2-methyl-N-[2-(propylamino)ethyl]butanamide (PubChem CID 62658824) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-methyl-N-[2-(propylamino)ethyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(propylamino)ethyl]butanamide
PubChem CID62658824
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-methyl-N-[2-(propylamino)ethyl]butanamide
SMILESCCCNCCNC(=O)C(C)CC
InChIInChI=1S/C10H22N2O/c1-4-6-11-7-8-12-10(13)9(3)5-2/h9,11H,4-8H2,1-3H3,(H,12,13)
InChIKeyRLSPSLRZATUARQ-UHFFFAOYSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide
CID 62664546
2-cyclopropyl-N-[2-(propylamino)ethyl]propanamide
CID 115563513
ethane;N-ethyl-2-methylbutanamide
CID 145471862
1-ethyl-3-[2-(propylamino)ethyl]urea
CID 62664925
2-[2-[2-[2-[2-(2-methylbutanoylamino)ethylamino]ethylamino]ethylamino]-2-oxoethyl]tetradecanoic acid
CID 20576070
N-(3-bromobutyl)-2-methylbutanamide
CID 114312674
3,3,3-trifluoro-N-[2-(propylamino)ethyl]propanamide
CID 62659177
N-(6-formamidohexyl)-2-methylbutanamide
CID 143259123
N-(2-azidoethyl)-2-methylbutanamide
CID 61343601
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
2-methyl-N-[2-(methylamino)ethyl]pentanamide
CID 62659666
2-methyl-N-(2-pentoxyethyl)butanamide
CID 170952196

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(propylamino)ethyl]butanamide?
The IUPAC name of 2-methyl-N-[2-(propylamino)ethyl]butanamide (CID 62658824) is 2-methyl-N-[2-(propylamino)ethyl]butanamide.
What is the SMILES notation for 2-methyl-N-[2-(propylamino)ethyl]butanamide?
The canonical SMILES for 2-methyl-N-[2-(propylamino)ethyl]butanamide is CCCNCCNC(=O)C(C)CC.
What is the InChIKey of 2-methyl-N-[2-(propylamino)ethyl]butanamide?
The InChIKey is RLSPSLRZATUARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-6-11-7-8-12-10(13)9(3)5-2/h9,11H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 2-methyl-N-[2-(propylamino)ethyl]butanamide?
2-methyl-N-[2-(propylamino)ethyl]butanamide has a molecular weight of 186.30 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(propylamino)ethyl]butanamide is sourced from PubChem (CID 62658824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).