2-[(1-tert-butylazetidin-3-yl)-methylamino]acetonitrile

C10H19N3 — CID 170255267

IUPAC2-[(1-tert-butylazetidin-3-yl)-methylamino]acetonitrile
SMILESCN(CC#N)C1CN(C(C)(C)C)C1
InChIInChI=1S/C10H19N3/c1-10(2,3)13-7-9(8-13)12(4)6-5-11/h9H,6-8H2,1-4H3
InChIKeyKVPZJIWCLQAXJC-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.92
Rot. Bonds2

About 2-[(1-tert-butylazetidin-3-yl)-methylamino]acetonitrile

2-[(1-tert-butylazetidin-3-yl)-methylamino]acetonitrile (PubChem CID 170255267) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-[(1-tert-butylazetidin-3-yl)-methylamino]acetonitrile.

Molecular Properties

Compound Name2-[(1-tert-butylazetidin-3-yl)-methylamino]acetonitrile
PubChem CID170255267
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-[(1-tert-butylazetidin-3-yl)-methylamino]acetonitrile
SMILESCN(CC#N)C1CN(C(C)(C)C)C1
InChIInChI=1S/C10H19N3/c1-10(2,3)13-7-9(8-13)12(4)6-5-11/h9H,6-8H2,1-4H3
InChIKeyKVPZJIWCLQAXJC-UHFFFAOYSA-N
XLogP0.92
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butylazetidin-3-yl)-methylamino]acetonitrile?
The IUPAC name of 2-[(1-tert-butylazetidin-3-yl)-methylamino]acetonitrile (CID 170255267) is 2-[(1-tert-butylazetidin-3-yl)-methylamino]acetonitrile.
What is the SMILES notation for 2-[(1-tert-butylazetidin-3-yl)-methylamino]acetonitrile?
The canonical SMILES for 2-[(1-tert-butylazetidin-3-yl)-methylamino]acetonitrile is CN(CC#N)C1CN(C(C)(C)C)C1.
What is the InChIKey of 2-[(1-tert-butylazetidin-3-yl)-methylamino]acetonitrile?
The InChIKey is KVPZJIWCLQAXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-10(2,3)13-7-9(8-13)12(4)6-5-11/h9H,6-8H2,1-4H3.
What are the key properties of 2-[(1-tert-butylazetidin-3-yl)-methylamino]acetonitrile?
2-[(1-tert-butylazetidin-3-yl)-methylamino]acetonitrile has a molecular weight of 181.28 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butylazetidin-3-yl)-methylamino]acetonitrile is sourced from PubChem (CID 170255267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).