3-[tert-butyl(cyclopropyl)amino]propanenitrile

C10H18N2 — CID 89043693

IUPAC3-[tert-butyl(cyclopropyl)amino]propanenitrile
SMILESCC(C)(C)N(CCC#N)C1CC1
InChIInChI=1S/C10H18N2/c1-10(2,3)12(8-4-7-11)9-5-6-9/h9H,4-6,8H2,1-3H3
InChIKeySIMXLFHWLLQAQT-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.16
Rot. Bonds3

About 3-[tert-butyl(cyclopropyl)amino]propanenitrile

3-[tert-butyl(cyclopropyl)amino]propanenitrile (PubChem CID 89043693) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-[tert-butyl(cyclopropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[tert-butyl(cyclopropyl)amino]propanenitrile
PubChem CID89043693
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-[tert-butyl(cyclopropyl)amino]propanenitrile
SMILESCC(C)(C)N(CCC#N)C1CC1
InChIInChI=1S/C10H18N2/c1-10(2,3)12(8-4-7-11)9-5-6-9/h9H,4-6,8H2,1-3H3
InChIKeySIMXLFHWLLQAQT-UHFFFAOYSA-N
XLogP2.16
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(cyclopropyl)amino]propanenitrile?
The IUPAC name of 3-[tert-butyl(cyclopropyl)amino]propanenitrile (CID 89043693) is 3-[tert-butyl(cyclopropyl)amino]propanenitrile.
What is the SMILES notation for 3-[tert-butyl(cyclopropyl)amino]propanenitrile?
The canonical SMILES for 3-[tert-butyl(cyclopropyl)amino]propanenitrile is CC(C)(C)N(CCC#N)C1CC1.
What is the InChIKey of 3-[tert-butyl(cyclopropyl)amino]propanenitrile?
The InChIKey is SIMXLFHWLLQAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-10(2,3)12(8-4-7-11)9-5-6-9/h9H,4-6,8H2,1-3H3.
What are the key properties of 3-[tert-butyl(cyclopropyl)amino]propanenitrile?
3-[tert-butyl(cyclopropyl)amino]propanenitrile has a molecular weight of 166.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(cyclopropyl)amino]propanenitrile is sourced from PubChem (CID 89043693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).