4-amino-N-(3-butoxypropyl)-3-methylbutanamide

C12H26N2O2 — CID 115737913

IUPAC4-amino-N-(3-butoxypropyl)-3-methylbutanamide
SMILESCCCCOCCCNC(=O)CC(C)CN
InChIInChI=1S/C12H26N2O2/c1-3-4-7-16-8-5-6-14-12(15)9-11(2)10-13/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyUUOFGSRQVBSAKS-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.29
Rot. Bonds10

About 4-amino-N-(3-butoxypropyl)-3-methylbutanamide

4-amino-N-(3-butoxypropyl)-3-methylbutanamide (PubChem CID 115737913) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-amino-N-(3-butoxypropyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(3-butoxypropyl)-3-methylbutanamide
PubChem CID115737913
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-amino-N-(3-butoxypropyl)-3-methylbutanamide
SMILESCCCCOCCCNC(=O)CC(C)CN
InChIInChI=1S/C12H26N2O2/c1-3-4-7-16-8-5-6-14-12(15)9-11(2)10-13/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyUUOFGSRQVBSAKS-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
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-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 81086754
4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide
CID 81070667
N'-(3-butoxypropyl)-N-butylbutanediamide
CID 4602776
5-amino-N-[3-(2-hydroxyethoxy)propyl]-4-methylpentanamide
CID 106310722
N-(3-butoxypropyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 51362485
3-butoxypropylurea
CID 115575573
4-amino-N-(3-cyanopropyl)-3-methylbutanamide
CID 81080393
(2S)-N-(3-butoxypropyl)-2-chloropropanamide
CID 92660561
N'-(3-butoxypropyl)-N-heptylbutanediamide
CID 5116303
4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide
CID 81086781
2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide
CID 115750966
3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide
CID 106310633

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-butoxypropyl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-(3-butoxypropyl)-3-methylbutanamide (CID 115737913) is 4-amino-N-(3-butoxypropyl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-(3-butoxypropyl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-(3-butoxypropyl)-3-methylbutanamide is CCCCOCCCNC(=O)CC(C)CN.
What is the InChIKey of 4-amino-N-(3-butoxypropyl)-3-methylbutanamide?
The InChIKey is UUOFGSRQVBSAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-4-7-16-8-5-6-14-12(15)9-11(2)10-13/h11H,3-10,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-N-(3-butoxypropyl)-3-methylbutanamide?
4-amino-N-(3-butoxypropyl)-3-methylbutanamide has a molecular weight of 230.35 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 4-amino-N-(3-butoxypropyl)-3-methylbutanamide is sourced from PubChem (CID 115737913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).