N-(4-aminobutyl)-N-(3-aminopropyl)-2-methoxyacetamide;hydrochloride

C10H24ClN3O2 — CID 118721816

IUPACN-(4-aminobutyl)-N-(3-aminopropyl)-2-methoxyacetamide;hydrochloride
SMILESCOCC(=O)N(CCCN)CCCCN.Cl
InChIInChI=1S/C10H23N3O2.ClH/c1-15-9-10(14)13(8-4-6-12)7-3-2-5-11;/h2-9,11-12H2,1H3;1H
InChIKeyJPBYMNZREOUEFC-UHFFFAOYSA-N
MW253.77 g/mol
LogP-0.03
Rot. Bonds9

About N-(4-aminobutyl)-N-(3-aminopropyl)-2-methoxyacetamide;hydrochloride

N-(4-aminobutyl)-N-(3-aminopropyl)-2-methoxyacetamide;hydrochloride (PubChem CID 118721816) has the molecular formula C10H24ClN3O2 and a molecular weight of 253.77 g/mol. Its IUPAC name is N-(4-aminobutyl)-N-(3-aminopropyl)-2-methoxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminobutyl)-N-(3-aminopropyl)-2-methoxyacetamide;hydrochloride
PubChem CID118721816
Molecular FormulaC10H24ClN3O2
Molecular Weight253.77 g/mol
Exact Mass253.16
IUPAC NameN-(4-aminobutyl)-N-(3-aminopropyl)-2-methoxyacetamide;hydrochloride
SMILESCOCC(=O)N(CCCN)CCCCN.Cl
InChIInChI=1S/C10H23N3O2.ClH/c1-15-9-10(14)13(8-4-6-12)7-3-2-5-11;/h2-9,11-12H2,1H3;1H
InChIKeyJPBYMNZREOUEFC-UHFFFAOYSA-N
XLogP-0.03
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide;hydrochloride
CID 118721810
1-(4-Aminopiperidin-1-yl)-2-methoxyethan-1-one
CID 16777912
1-(4-Aminopiperidin-1-yl)-2-methoxyethan-1-one hydrochloride
CID 42937265
N-(4-aminobutyl)-2-methoxyacetamide;hydrochloride
CID 118721808
N-[4-(3-aminopropylamino)butyl]-2-methoxyacetamide;hydrochloride
CID 118721813
N-(3-aminopropyl)-2-methoxyacetamide hydrochloride
CID 154747260
N-butyl-2-methoxyacetamide
CID 13708111
2-methoxy-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 71939451
N-(3-aminopropyl)-2-methoxyacetamide
CID 24692091
N-(4-aminobutyl)-2-methoxyacetamide
CID 61279183
N,N-dibutyl-2-methoxyacetamide
CID 60653982
2-Methoxy-N-(3-oxo-3-(pyrrolidin-1-yl)propyl)acetamide
CID 39948455

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-N-(3-aminopropyl)-2-methoxyacetamide;hydrochloride?
The IUPAC name of N-(4-aminobutyl)-N-(3-aminopropyl)-2-methoxyacetamide;hydrochloride (CID 118721816) is N-(4-aminobutyl)-N-(3-aminopropyl)-2-methoxyacetamide;hydrochloride.
What is the SMILES notation for N-(4-aminobutyl)-N-(3-aminopropyl)-2-methoxyacetamide;hydrochloride?
The canonical SMILES for N-(4-aminobutyl)-N-(3-aminopropyl)-2-methoxyacetamide;hydrochloride is COCC(=O)N(CCCN)CCCCN.Cl.
What is the InChIKey of N-(4-aminobutyl)-N-(3-aminopropyl)-2-methoxyacetamide;hydrochloride?
The InChIKey is JPBYMNZREOUEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2.ClH/c1-15-9-10(14)13(8-4-6-12)7-3-2-5-11;/h2-9,11-12H2,1H3;1H.
What are the key properties of N-(4-aminobutyl)-N-(3-aminopropyl)-2-methoxyacetamide;hydrochloride?
N-(4-aminobutyl)-N-(3-aminopropyl)-2-methoxyacetamide;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of -0.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-N-(3-aminopropyl)-2-methoxyacetamide;hydrochloride is sourced from PubChem (CID 118721816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).