(Z)-2,3-dimethyl-1-N-(methylideneamino)hept-5-ene-1,4-diimine

C10H17N3 — CID 123693521

IUPAC(Z)-2,3-dimethyl-1-N-(methylideneamino)hept-5-ene-1,4-diimine
SMILES[H]/N=C(\C=C/C)C(C)C(C)/C=N/N=C
InChIInChI=1S/C10H17N3/c1-5-6-10(11)9(3)8(2)7-13-12-4/h5-9,11H,4H2,1-3H3/b6-5-,11-10+,13-7+
InChIKeyKISANTNRNKFYPE-VWRVOUOTSA-N
MW179.27 g/mol
LogP2.54
Rot. Bonds5

About (Z)-2,3-dimethyl-1-N-(methylideneamino)hept-5-ene-1,4-diimine

(Z)-2,3-dimethyl-1-N-(methylideneamino)hept-5-ene-1,4-diimine (PubChem CID 123693521) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (Z)-2,3-dimethyl-1-N-(methylideneamino)hept-5-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-2,3-dimethyl-1-N-(methylideneamino)hept-5-ene-1,4-diimine
PubChem CID123693521
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(Z)-2,3-dimethyl-1-N-(methylideneamino)hept-5-ene-1,4-diimine
SMILES[H]/N=C(\C=C/C)C(C)C(C)/C=N/N=C
InChIInChI=1S/C10H17N3/c1-5-6-10(11)9(3)8(2)7-13-12-4/h5-9,11H,4H2,1-3H3/b6-5-,11-10+,13-7+
InChIKeyKISANTNRNKFYPE-VWRVOUOTSA-N
XLogP2.54
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Methylpyrrol-2-yl)butan-2-imine
CID 57035429
(Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine
CID 88583469
(Z)-3-methyloct-5-ene-1,7-diimine
CID 90709896
(7Z)-7-ethylidene-2,3,8-trimethyldecane-1,6-diimine
CID 90917683
(2Z,5Z)-8-methanimidoyl-N-methylcycloocta-2,5-dien-1-imine
CID 91216602
5-Ethyl-2-methanimidoyl-6-methylcyclohex-2-en-1-imine
CID 91372737
(Z)-3-[(2S)-butan-2-yl]hex-4-en-1-imine
CID 118687334
(Z)-3-propan-2-ylhex-4-en-1-imine
CID 118687372
2-Propan-2-ylhex-4-en-1-imine
CID 123137099
4-N,9-dimethyldeca-2,7-diene-1,4-diimine
CID 123259885
(Z)-6-N,3,4,9,10-pentamethyl-1-N-(methylideneamino)undec-7-ene-1,6-diimine
CID 123432181
5,6-Dimethylhept-2-en-4-imine
CID 123523897

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-dimethyl-1-N-(methylideneamino)hept-5-ene-1,4-diimine?
The IUPAC name of (Z)-2,3-dimethyl-1-N-(methylideneamino)hept-5-ene-1,4-diimine (CID 123693521) is (Z)-2,3-dimethyl-1-N-(methylideneamino)hept-5-ene-1,4-diimine.
What is the SMILES notation for (Z)-2,3-dimethyl-1-N-(methylideneamino)hept-5-ene-1,4-diimine?
The canonical SMILES for (Z)-2,3-dimethyl-1-N-(methylideneamino)hept-5-ene-1,4-diimine is [H]/N=C(\C=C/C)C(C)C(C)/C=N/N=C.
What is the InChIKey of (Z)-2,3-dimethyl-1-N-(methylideneamino)hept-5-ene-1,4-diimine?
The InChIKey is KISANTNRNKFYPE-VWRVOUOTSA-N. The full InChI is InChI=1S/C10H17N3/c1-5-6-10(11)9(3)8(2)7-13-12-4/h5-9,11H,4H2,1-3H3/b6-5-,11-10+,13-7+.
What are the key properties of (Z)-2,3-dimethyl-1-N-(methylideneamino)hept-5-ene-1,4-diimine?
(Z)-2,3-dimethyl-1-N-(methylideneamino)hept-5-ene-1,4-diimine has a molecular weight of 179.27 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-dimethyl-1-N-(methylideneamino)hept-5-ene-1,4-diimine is sourced from PubChem (CID 123693521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).