3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide

C13H26N2O2 — CID 81070555

IUPAC3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide
SMILESCCC(CN)CC(=O)NCCCOCC1CC1
InChIInChI=1S/C13H26N2O2/c1-2-11(9-14)8-13(16)15-6-3-7-17-10-12-4-5-12/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyNALUXHPDGOVQDF-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.29
Rot. Bonds10

About 3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide

3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide (PubChem CID 81070555) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide
PubChem CID81070555
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide
SMILESCCC(CN)CC(=O)NCCCOCC1CC1
InChIInChI=1S/C13H26N2O2/c1-2-11(9-14)8-13(16)15-6-3-7-17-10-12-4-5-12/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyNALUXHPDGOVQDF-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide
CID 81070667
3-(aminomethyl)-N-(2-cyclopropylethyl)pentanamide
CID 81080317
3-(aminomethyl)-N-butylpentanamide
CID 81071551
3-(aminomethyl)-N-(4-methoxybutyl)pentanamide
CID 81087341
3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide
CID 81071498
3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide
CID 81075818
2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide
CID 43515321
2-amino-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]acetamide
CID 60847429
2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide
CID 62854201
5-amino-N-[3-(cyclopropylmethoxy)propyl]hexanamide
CID 82848964
N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide
CID 60852522
3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide
CID 81070117

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide (CID 81070555) is 3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide is CCC(CN)CC(=O)NCCCOCC1CC1.
What is the InChIKey of 3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide?
The InChIKey is NALUXHPDGOVQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-11(9-14)8-13(16)15-6-3-7-17-10-12-4-5-12/h11-12H,2-10,14H2,1H3,(H,15,16).
What are the key properties of 3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide?
3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide has a molecular weight of 242.36 g/mol, XLogP of 1.29, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide is sourced from PubChem (CID 81070555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).