5,5-dimethyl-3-methyliminocyclohexen-1-amine;ethane;ethene;(E)-4-propyldodec-3-ene

C30H62N2 — CID 170763887

IUPAC5,5-dimethyl-3-methyliminocyclohexen-1-amine;ethane;ethene;(E)-4-propyldodec-3-ene
SMILESC/N=C1\C=C(N)CC(C)(C)C1.C=C.CC.CC.CC/C=C(\CCC)CCCCCCCC
InChIInChI=1S/C15H30.C9H16N2.2C2H6.C2H4/c1-4-7-8-9-10-11-14-15(12-5-2)13-6-3;1-9(2)5-7(10)4-8(6-9)11-3;3*1-2/h12H,4-11,13-14H2,1-3H3;4H,5-6,10H2,1-3H3;2*1-2H3;1-2H2/b15-12+;11-8+;;;
InChIKeyVZYHTFSAJUZSKN-VQGYFONWSA-N
MW450.84 g/mol
LogP10.45
Rot. Bonds10

About 5,5-dimethyl-3-methyliminocyclohexen-1-amine;ethane;ethene;(E)-4-propyldodec-3-ene

5,5-dimethyl-3-methyliminocyclohexen-1-amine;ethane;ethene;(E)-4-propyldodec-3-ene (PubChem CID 170763887) has the molecular formula C30H62N2 and a molecular weight of 450.84 g/mol. Its IUPAC name is 5,5-dimethyl-3-methyliminocyclohexen-1-amine;ethane;ethene;(E)-4-propyldodec-3-ene.

Molecular Properties

Compound Name5,5-dimethyl-3-methyliminocyclohexen-1-amine;ethane;ethene;(E)-4-propyldodec-3-ene
PubChem CID170763887
Molecular FormulaC30H62N2
Molecular Weight450.84 g/mol
Exact Mass450.49
IUPAC Name5,5-dimethyl-3-methyliminocyclohexen-1-amine;ethane;ethene;(E)-4-propyldodec-3-ene
SMILESC/N=C1\C=C(N)CC(C)(C)C1.C=C.CC.CC.CC/C=C(\CCC)CCCCCCCC
InChIInChI=1S/C15H30.C9H16N2.2C2H6.C2H4/c1-4-7-8-9-10-11-14-15(12-5-2)13-6-3;1-9(2)5-7(10)4-8(6-9)11-3;3*1-2/h12H,4-11,13-14H2,1-3H3;4H,5-6,10H2,1-3H3;2*1-2H3;1-2H2/b15-12+;11-8+;;;
InChIKeyVZYHTFSAJUZSKN-VQGYFONWSA-N
XLogP10.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.84
LogP ≤ 510.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-methyliminocyclohexen-1-amine;ethane;ethene;(E)-4-propyldodec-3-ene?
The IUPAC name of 5,5-dimethyl-3-methyliminocyclohexen-1-amine;ethane;ethene;(E)-4-propyldodec-3-ene (CID 170763887) is 5,5-dimethyl-3-methyliminocyclohexen-1-amine;ethane;ethene;(E)-4-propyldodec-3-ene.
What is the SMILES notation for 5,5-dimethyl-3-methyliminocyclohexen-1-amine;ethane;ethene;(E)-4-propyldodec-3-ene?
The canonical SMILES for 5,5-dimethyl-3-methyliminocyclohexen-1-amine;ethane;ethene;(E)-4-propyldodec-3-ene is C/N=C1\C=C(N)CC(C)(C)C1.C=C.CC.CC.CC/C=C(\CCC)CCCCCCCC.
What is the InChIKey of 5,5-dimethyl-3-methyliminocyclohexen-1-amine;ethane;ethene;(E)-4-propyldodec-3-ene?
The InChIKey is VZYHTFSAJUZSKN-VQGYFONWSA-N. The full InChI is InChI=1S/C15H30.C9H16N2.2C2H6.C2H4/c1-4-7-8-9-10-11-14-15(12-5-2)13-6-3;1-9(2)5-7(10)4-8(6-9)11-3;3*1-2/h12H,4-11,13-14H2,1-3H3;4H,5-6,10H2,1-3H3;2*1-2H3;1-2H2/b15-12+;11-8+;;;.
What are the key properties of 5,5-dimethyl-3-methyliminocyclohexen-1-amine;ethane;ethene;(E)-4-propyldodec-3-ene?
5,5-dimethyl-3-methyliminocyclohexen-1-amine;ethane;ethene;(E)-4-propyldodec-3-ene has a molecular weight of 450.84 g/mol, XLogP of 10.45, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-methyliminocyclohexen-1-amine;ethane;ethene;(E)-4-propyldodec-3-ene is sourced from PubChem (CID 170763887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).