3-imino-1-[(2,2,3,3-tetramethylcyclopropyl)methoxy]prop-1-en-1-amine

C11H20N2O — CID 174151535

IUPAC3-imino-1-[(2,2,3,3-tetramethylcyclopropyl)methoxy]prop-1-en-1-amine
SMILES[H]/N=C/C=C(N)OCC1C(C)(C)C1(C)C
InChIInChI=1S/C11H20N2O/c1-10(2)8(11(10,3)4)7-14-9(13)5-6-12/h5-6,8,12H,7,13H2,1-4H3/b9-5?,12-6+
InChIKeyQCLCZJZTJAEVAJ-JKZBIOIDSA-N
MW196.29 g/mol
LogP2.13
Rot. Bonds4

About 3-imino-1-[(2,2,3,3-tetramethylcyclopropyl)methoxy]prop-1-en-1-amine

3-imino-1-[(2,2,3,3-tetramethylcyclopropyl)methoxy]prop-1-en-1-amine (PubChem CID 174151535) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-imino-1-[(2,2,3,3-tetramethylcyclopropyl)methoxy]prop-1-en-1-amine.

Molecular Properties

Compound Name3-imino-1-[(2,2,3,3-tetramethylcyclopropyl)methoxy]prop-1-en-1-amine
PubChem CID174151535
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-imino-1-[(2,2,3,3-tetramethylcyclopropyl)methoxy]prop-1-en-1-amine
SMILES[H]/N=C/C=C(N)OCC1C(C)(C)C1(C)C
InChIInChI=1S/C11H20N2O/c1-10(2)8(11(10,3)4)7-14-9(13)5-6-12/h5-6,8,12H,7,13H2,1-4H3/b9-5?,12-6+
InChIKeyQCLCZJZTJAEVAJ-JKZBIOIDSA-N
XLogP2.13
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imino-1-[(2,2,3,3-tetramethylcyclopropyl)methoxy]prop-1-en-1-amine?
The IUPAC name of 3-imino-1-[(2,2,3,3-tetramethylcyclopropyl)methoxy]prop-1-en-1-amine (CID 174151535) is 3-imino-1-[(2,2,3,3-tetramethylcyclopropyl)methoxy]prop-1-en-1-amine.
What is the SMILES notation for 3-imino-1-[(2,2,3,3-tetramethylcyclopropyl)methoxy]prop-1-en-1-amine?
The canonical SMILES for 3-imino-1-[(2,2,3,3-tetramethylcyclopropyl)methoxy]prop-1-en-1-amine is [H]/N=C/C=C(N)OCC1C(C)(C)C1(C)C.
What is the InChIKey of 3-imino-1-[(2,2,3,3-tetramethylcyclopropyl)methoxy]prop-1-en-1-amine?
The InChIKey is QCLCZJZTJAEVAJ-JKZBIOIDSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(2)8(11(10,3)4)7-14-9(13)5-6-12/h5-6,8,12H,7,13H2,1-4H3/b9-5?,12-6+.
What are the key properties of 3-imino-1-[(2,2,3,3-tetramethylcyclopropyl)methoxy]prop-1-en-1-amine?
3-imino-1-[(2,2,3,3-tetramethylcyclopropyl)methoxy]prop-1-en-1-amine has a molecular weight of 196.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-1-[(2,2,3,3-tetramethylcyclopropyl)methoxy]prop-1-en-1-amine is sourced from PubChem (CID 174151535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).