3-(2,2-dimethylpropylamino)propyl formate

C9H19NO2 — CID 87316456

IUPAC3-(2,2-dimethylpropylamino)propyl formate
SMILESCC(C)(C)CNCCCOC=O
InChIInChI=1S/C9H19NO2/c1-9(2,3)7-10-5-4-6-12-8-11/h8,10H,4-7H2,1-3H3
InChIKeyAHTQPWVDIFMDIV-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.19
Rot. Bonds6

About 3-(2,2-dimethylpropylamino)propyl formate

3-(2,2-dimethylpropylamino)propyl formate (PubChem CID 87316456) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylamino)propyl formate.

Molecular Properties

Compound Name3-(2,2-dimethylpropylamino)propyl formate
PubChem CID87316456
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-(2,2-dimethylpropylamino)propyl formate
SMILESCC(C)(C)CNCCCOC=O
InChIInChI=1S/C9H19NO2/c1-9(2,3)7-10-5-4-6-12-8-11/h8,10H,4-7H2,1-3H3
InChIKeyAHTQPWVDIFMDIV-UHFFFAOYSA-N
XLogP1.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(butylamino)propyl formate
CID 87316464
1-N-[3-[2-[2-[3-(2,2-dimethylpropylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropane-1,2-diamine
CID 121460798
10,10-dimethylundecyl formate
CID 91170275
4-[(2-methylpropan-2-yl)oxy]butyl formate
CID 54406246
methyl 4-(2,2-dimethylpropylamino)butanoate
CID 61168407
5-[(2-methylpropan-2-yl)oxy]pentyl formate
CID 54572976
N'-(2,2-dimethylpropyl)ethane-1,2-diamine
CID 61168060
6-(2,2-dimethylpropylamino)hexan-1-ol
CID 115909001
2,2-dimethyl-N-propylpropan-1-amine
CID 551573
N-(2,2-dimethylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 61166306
N-(3-cyclopropylpropyl)-2,2-dimethylpropan-1-amine
CID 115639400
4-[2-(2-formyloxyethylamino)ethoxy]butyl formate
CID 157120336

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropylamino)propyl formate?
The IUPAC name of 3-(2,2-dimethylpropylamino)propyl formate (CID 87316456) is 3-(2,2-dimethylpropylamino)propyl formate.
What is the SMILES notation for 3-(2,2-dimethylpropylamino)propyl formate?
The canonical SMILES for 3-(2,2-dimethylpropylamino)propyl formate is CC(C)(C)CNCCCOC=O.
What is the InChIKey of 3-(2,2-dimethylpropylamino)propyl formate?
The InChIKey is AHTQPWVDIFMDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(2,3)7-10-5-4-6-12-8-11/h8,10H,4-7H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropylamino)propyl formate?
3-(2,2-dimethylpropylamino)propyl formate has a molecular weight of 173.26 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropylamino)propyl formate is sourced from PubChem (CID 87316456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).