2-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)propan-1-amine

C11H22N2 — CID 115308295

IUPAC2-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)propan-1-amine
SMILESCC1(C)CN(C(C)(CN)C2CC2)C1
InChIInChI=1S/C11H22N2/c1-10(2)7-13(8-10)11(3,6-12)9-4-5-9/h9H,4-8,12H2,1-3H3
InChIKeyTZSSLDPHSPAPCN-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.46
Rot. Bonds3

About 2-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)propan-1-amine

2-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)propan-1-amine (PubChem CID 115308295) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)propan-1-amine
PubChem CID115308295
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)propan-1-amine
SMILESCC1(C)CN(C(C)(CN)C2CC2)C1
InChIInChI=1S/C11H22N2/c1-10(2)7-13(8-10)11(3,6-12)9-4-5-9/h9H,4-8,12H2,1-3H3
InChIKeyTZSSLDPHSPAPCN-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)propan-1-amine (CID 115308295) is 2-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)propan-1-amine is CC1(C)CN(C(C)(CN)C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)propan-1-amine?
The InChIKey is TZSSLDPHSPAPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2)7-13(8-10)11(3,6-12)9-4-5-9/h9H,4-8,12H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)propan-1-amine?
2-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)propan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)propan-1-amine is sourced from PubChem (CID 115308295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).