[1-(methylamino)-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-yl] formate

C12H24N2O2 — CID 164877139

IUPAC[1-(methylamino)-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-yl] formate
SMILESCNCC(CNC1CC(C(C)C)C1)OC=O
InChIInChI=1S/C12H24N2O2/c1-9(2)10-4-11(5-10)14-7-12(6-13-3)16-8-15/h8-14H,4-7H2,1-3H3
InChIKeyQNOBZNKCAILHGB-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.77
Rot. Bonds8

About [1-(methylamino)-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-yl] formate

[1-(methylamino)-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-yl] formate (PubChem CID 164877139) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is [1-(methylamino)-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-yl] formate.

Molecular Properties

Compound Name[1-(methylamino)-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-yl] formate
PubChem CID164877139
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name[1-(methylamino)-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-yl] formate
SMILESCNCC(CNC1CC(C(C)C)C1)OC=O
InChIInChI=1S/C12H24N2O2/c1-9(2)10-4-11(5-10)14-7-12(6-13-3)16-8-15/h8-14H,4-7H2,1-3H3
InChIKeyQNOBZNKCAILHGB-UHFFFAOYSA-N
XLogP0.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N-dimethyl-1-N-(3-propan-2-ylcyclobutyl)propane-1,2-diamine
CID 103561743
[4-methyl-1-(methylamino)-3-oxopentan-2-yl] formate
CID 170609840
3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol
CID 103562049
2-methyl-3-(methylamino)-N-(3-propan-2-ylcyclohexyl)propanamide;hydrochloride
CID 119775861
4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 103565225
2-[2-[(3-propan-2-ylcyclobutyl)amino]ethoxy]ethanol
CID 103560967
N-(2-phenylpropyl)-3-propan-2-ylcyclobutan-1-amine
CID 103560913
3-propan-2-yl-N-prop-2-ynylcyclobutan-1-amine
CID 103560670
2-[(3-propan-2-ylcyclobutyl)amino]acetonitrile
CID 167184643
N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]propanamide
CID 103561625
N-(3-propan-2-ylcyclobutyl)acetamide
CID 59410589
N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561721

Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-yl] formate?
The IUPAC name of [1-(methylamino)-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-yl] formate (CID 164877139) is [1-(methylamino)-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-yl] formate.
What is the SMILES notation for [1-(methylamino)-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-yl] formate?
The canonical SMILES for [1-(methylamino)-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-yl] formate is CNCC(CNC1CC(C(C)C)C1)OC=O.
What is the InChIKey of [1-(methylamino)-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-yl] formate?
The InChIKey is QNOBZNKCAILHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)10-4-11(5-10)14-7-12(6-13-3)16-8-15/h8-14H,4-7H2,1-3H3.
What are the key properties of [1-(methylamino)-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-yl] formate?
[1-(methylamino)-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-yl] formate has a molecular weight of 228.34 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-yl] formate is sourced from PubChem (CID 164877139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).