(Z)-3-(cyclobutylmethylimino)-2,4-dimethylpent-1-en-1-amine

C12H22N2 — CID 171506070

IUPAC(Z)-3-(cyclobutylmethylimino)-2,4-dimethylpent-1-en-1-amine
SMILESCC(=C/N)/C(=N/CC1CCC1)C(C)C
InChIInChI=1S/C12H22N2/c1-9(2)12(10(3)7-13)14-8-11-5-4-6-11/h7,9,11H,4-6,8,13H2,1-3H3/b10-7-,14-12+
InChIKeyLSFRZBCHYMPHSN-QRVYLYQGSA-N
MW194.32 g/mol
LogP2.75
Rot. Bonds4

About (Z)-3-(cyclobutylmethylimino)-2,4-dimethylpent-1-en-1-amine

(Z)-3-(cyclobutylmethylimino)-2,4-dimethylpent-1-en-1-amine (PubChem CID 171506070) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (Z)-3-(cyclobutylmethylimino)-2,4-dimethylpent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(cyclobutylmethylimino)-2,4-dimethylpent-1-en-1-amine
PubChem CID171506070
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(Z)-3-(cyclobutylmethylimino)-2,4-dimethylpent-1-en-1-amine
SMILESCC(=C/N)/C(=N/CC1CCC1)C(C)C
InChIInChI=1S/C12H22N2/c1-9(2)12(10(3)7-13)14-8-11-5-4-6-11/h7,9,11H,4-6,8,13H2,1-3H3/b10-7-,14-12+
InChIKeyLSFRZBCHYMPHSN-QRVYLYQGSA-N
XLogP2.75
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.75
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 (Z)-3-(cyclobutylmethylimino)-2,4-dimethylpent-1-en-1-amine?
The IUPAC name of (Z)-3-(cyclobutylmethylimino)-2,4-dimethylpent-1-en-1-amine (CID 171506070) is (Z)-3-(cyclobutylmethylimino)-2,4-dimethylpent-1-en-1-amine.
What is the SMILES notation for (Z)-3-(cyclobutylmethylimino)-2,4-dimethylpent-1-en-1-amine?
The canonical SMILES for (Z)-3-(cyclobutylmethylimino)-2,4-dimethylpent-1-en-1-amine is CC(=C/N)/C(=N/CC1CCC1)C(C)C.
What is the InChIKey of (Z)-3-(cyclobutylmethylimino)-2,4-dimethylpent-1-en-1-amine?
The InChIKey is LSFRZBCHYMPHSN-QRVYLYQGSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(2)12(10(3)7-13)14-8-11-5-4-6-11/h7,9,11H,4-6,8,13H2,1-3H3/b10-7-,14-12+.
What are the key properties of (Z)-3-(cyclobutylmethylimino)-2,4-dimethylpent-1-en-1-amine?
(Z)-3-(cyclobutylmethylimino)-2,4-dimethylpent-1-en-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(cyclobutylmethylimino)-2,4-dimethylpent-1-en-1-amine is sourced from PubChem (CID 171506070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).