2-amino-5-methoxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide

C13H27N3O2 — CID 81101601

IUPAC2-amino-5-methoxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
SMILESCOCCCC(N)C(=O)N(C)CC1CCCN1C
InChIInChI=1S/C13H27N3O2/c1-15-8-4-6-11(15)10-16(2)13(17)12(14)7-5-9-18-3/h11-12H,4-10,14H2,1-3H3
InChIKeyDXFDPVDXWIWTMQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.29
Rot. Bonds7

About 2-amino-5-methoxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide

2-amino-5-methoxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide (PubChem CID 81101601) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
PubChem CID81101601
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-amino-5-methoxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
SMILESCOCCCC(N)C(=O)N(C)CC1CCCN1C
InChIInChI=1S/C13H27N3O2/c1-15-8-4-6-11(15)10-16(2)13(17)12(14)7-5-9-18-3/h11-12H,4-10,14H2,1-3H3
InChIKeyDXFDPVDXWIWTMQ-UHFFFAOYSA-N
XLogP0.29
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 79314315
2-amino-5-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pentanamide
CID 81089103
2-amino-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 121226107
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 79312888
(2S)-2-amino-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]propanamide
CID 96553417
2-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 81082304
2-amino-N-[(3-hydroxycyclobutyl)methyl]-5-methoxy-N-methylpentanamide
CID 81101474
(2S)-2-amino-N,3-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]butanamide
CID 96553466
(2S)-2-amino-N,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 66565934
2-amino-N-(cyclopentylmethyl)-4-methoxy-N-methylbutanamide
CID 63654910
2-amino-N-cyclopentyl-5-methoxy-N-methylpentanamide
CID 81081449
2-amino-5-methoxy-N-(3-methoxypropyl)-N-methylpentanamide
CID 81088448

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide (CID 81101601) is 2-amino-5-methoxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide is COCCCC(N)C(=O)N(C)CC1CCCN1C.
What is the InChIKey of 2-amino-5-methoxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide?
The InChIKey is DXFDPVDXWIWTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-15-8-4-6-11(15)10-16(2)13(17)12(14)7-5-9-18-3/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 2-amino-5-methoxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide?
2-amino-5-methoxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide has a molecular weight of 257.38 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide is sourced from PubChem (CID 81101601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).