4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide

C12H24N2O2 — CID 81070667

IUPAC4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide
SMILESCC(CN)CC(=O)NCCCOCC1CC1
InChIInChI=1S/C12H24N2O2/c1-10(8-13)7-12(15)14-5-2-6-16-9-11-3-4-11/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyMBOJVJJYLKKYLM-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.90
Rot. Bonds9

About 4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide

4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide (PubChem CID 81070667) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide
PubChem CID81070667
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide
SMILESCC(CN)CC(=O)NCCCOCC1CC1
InChIInChI=1S/C12H24N2O2/c1-10(8-13)7-12(15)14-5-2-6-16-9-11-3-4-11/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyMBOJVJJYLKKYLM-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.90
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

3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide
CID 81070555
4-amino-N-(3-butoxypropyl)-3-methylbutanamide
CID 115737913
4-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 81086754
5-amino-N-[3-(cyclopropylmethoxy)propyl]hexanamide
CID 82848964
N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide
CID 60852522
2-amino-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]acetamide
CID 60847429
N-[3-(cyclopropylmethoxy)propyl]-2-methoxypropanamide
CID 115588529
4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
CID 81079716
2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide
CID 43515321
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide
CID 61155391
1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide
CID 115452262
2-(cyclopropylamino)-N-[3-(cyclopropylmethoxy)propyl]acetamide
CID 60712208

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide (CID 81070667) is 4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide is CC(CN)CC(=O)NCCCOCC1CC1.
What is the InChIKey of 4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide?
The InChIKey is MBOJVJJYLKKYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(8-13)7-12(15)14-5-2-6-16-9-11-3-4-11/h10-11H,2-9,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide?
4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide has a molecular weight of 228.34 g/mol, XLogP of 0.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide is sourced from PubChem (CID 81070667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).