N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide;propane

C16H32N2 — CID 144648638

IUPACN-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide;propane
SMILESC=C(/N=C/N=C(\C)C(C)(C)C)C(C)(C)C.CCC
InChIInChI=1S/C13H24N2.C3H8/c1-10(12(3,4)5)14-9-15-11(2)13(6,7)8;1-3-2/h9H,1H2,2-8H3;3H2,1-2H3/b14-9+,15-11+;
InChIKeyOZBGILFZJANNQR-NDHHSALASA-N
MW252.45 g/mol
LogP5.50
Rot. Bonds2

About N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide;propane

N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide;propane (PubChem CID 144648638) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide;propane.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide;propane
PubChem CID144648638
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide;propane
SMILESC=C(/N=C/N=C(\C)C(C)(C)C)C(C)(C)C.CCC
InChIInChI=1S/C13H24N2.C3H8/c1-10(12(3,4)5)14-9-15-11(2)13(6,7)8;1-3-2/h9H,1H2,2-8H3;3H2,1-2H3/b14-9+,15-11+;
InChIKeyOZBGILFZJANNQR-NDHHSALASA-N
XLogP5.50
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.45
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-dimethylbutan-2-ylidene)-N'-methylmethanimidamide
CID 142063019
3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-imine
CID 174243879
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
N-[(Z)-3,3-dimethylbut-1-enyl]-3,3-dimethylbutan-2-imine
CID 59179945
bis(2-methylprop-1-ene);propane
CID 159493997
methyl 2-(3,3-dimethylbut-1-en-2-ylimino)-N-methylethanimidate
CID 156542257
propane;2,4,4-trimethylpent-1-ene
CID 145388380
(E)-3,3-dimethyl-N-propoxybutan-2-imine
CID 88538853
N-tert-butyl-2-methylprop-2-en-1-imine
CID 10511180
CID 158035989
CID 158035989
but-1-ene;propane;propan-2-imine
CID 142132496
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide;propane?
The IUPAC name of N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide;propane (CID 144648638) is N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide;propane.
What is the SMILES notation for N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide;propane?
The canonical SMILES for N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide;propane is C=C(/N=C/N=C(\C)C(C)(C)C)C(C)(C)C.CCC.
What is the InChIKey of N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide;propane?
The InChIKey is OZBGILFZJANNQR-NDHHSALASA-N. The full InChI is InChI=1S/C13H24N2.C3H8/c1-10(12(3,4)5)14-9-15-11(2)13(6,7)8;1-3-2/h9H,1H2,2-8H3;3H2,1-2H3/b14-9+,15-11+;.
What are the key properties of N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide;propane?
N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide;propane has a molecular weight of 252.45 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide;propane is sourced from PubChem (CID 144648638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).