3-tert-butylimino-1-cyclopropylprop-1-en-1-amine

C10H18N2 — CID 73110243

IUPAC3-tert-butylimino-1-cyclopropylprop-1-en-1-amine
SMILESCC(C)(C)/N=C/C=C(N)C1CC1
InChIInChI=1S/C10H18N2/c1-10(2,3)12-7-6-9(11)8-4-5-8/h6-8H,4-5,11H2,1-3H3/b9-6?,12-7+
InChIKeyAHUSFVGKRPGVOX-NWDZKHQFSA-N
MW166.27 g/mol
LogP2.11
Rot. Bonds2

About 3-tert-butylimino-1-cyclopropylprop-1-en-1-amine

3-tert-butylimino-1-cyclopropylprop-1-en-1-amine (PubChem CID 73110243) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-tert-butylimino-1-cyclopropylprop-1-en-1-amine.

Molecular Properties

Compound Name3-tert-butylimino-1-cyclopropylprop-1-en-1-amine
PubChem CID73110243
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-tert-butylimino-1-cyclopropylprop-1-en-1-amine
SMILESCC(C)(C)/N=C/C=C(N)C1CC1
InChIInChI=1S/C10H18N2/c1-10(2,3)12-7-6-9(11)8-4-5-8/h6-8H,4-5,11H2,1-3H3/b9-6?,12-7+
InChIKeyAHUSFVGKRPGVOX-NWDZKHQFSA-N
XLogP2.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylimino-1-cyclopropylprop-1-en-1-amine?
The IUPAC name of 3-tert-butylimino-1-cyclopropylprop-1-en-1-amine (CID 73110243) is 3-tert-butylimino-1-cyclopropylprop-1-en-1-amine.
What is the SMILES notation for 3-tert-butylimino-1-cyclopropylprop-1-en-1-amine?
The canonical SMILES for 3-tert-butylimino-1-cyclopropylprop-1-en-1-amine is CC(C)(C)/N=C/C=C(N)C1CC1.
What is the InChIKey of 3-tert-butylimino-1-cyclopropylprop-1-en-1-amine?
The InChIKey is AHUSFVGKRPGVOX-NWDZKHQFSA-N. The full InChI is InChI=1S/C10H18N2/c1-10(2,3)12-7-6-9(11)8-4-5-8/h6-8H,4-5,11H2,1-3H3/b9-6?,12-7+.
What are the key properties of 3-tert-butylimino-1-cyclopropylprop-1-en-1-amine?
3-tert-butylimino-1-cyclopropylprop-1-en-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylimino-1-cyclopropylprop-1-en-1-amine is sourced from PubChem (CID 73110243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).