N-[(Z)-4,4-dimethylpent-2-en-3-yl]methanimine;ethane

C10H21N — CID 145163101

IUPACN-[(Z)-4,4-dimethylpent-2-en-3-yl]methanimine;ethane
SMILESC=N/C(=C\C)C(C)(C)C.CC
InChIInChI=1S/C8H15N.C2H6/c1-6-7(9-5)8(2,3)4;1-2/h6H,5H2,1-4H3;1-2H3/b7-6-;
InChIKeyRPRSHOSEOBBIFU-NAFXZHHSSA-N
MW155.28 g/mol
LogP3.66
Rot. Bonds1

About N-[(Z)-4,4-dimethylpent-2-en-3-yl]methanimine;ethane

N-[(Z)-4,4-dimethylpent-2-en-3-yl]methanimine;ethane (PubChem CID 145163101) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-[(Z)-4,4-dimethylpent-2-en-3-yl]methanimine;ethane.

Molecular Properties

Compound NameN-[(Z)-4,4-dimethylpent-2-en-3-yl]methanimine;ethane
PubChem CID145163101
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-[(Z)-4,4-dimethylpent-2-en-3-yl]methanimine;ethane
SMILESC=N/C(=C\C)C(C)(C)C.CC
InChIInChI=1S/C8H15N.C2H6/c1-6-7(9-5)8(2,3)4;1-2/h6H,5H2,1-4H3;1-2H3/b7-6-;
InChIKeyRPRSHOSEOBBIFU-NAFXZHHSSA-N
XLogP3.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-[(Z)-4,4-dimethylpent-2-en-3-yl]methanimine;ethane?
The IUPAC name of N-[(Z)-4,4-dimethylpent-2-en-3-yl]methanimine;ethane (CID 145163101) is N-[(Z)-4,4-dimethylpent-2-en-3-yl]methanimine;ethane.
What is the SMILES notation for N-[(Z)-4,4-dimethylpent-2-en-3-yl]methanimine;ethane?
The canonical SMILES for N-[(Z)-4,4-dimethylpent-2-en-3-yl]methanimine;ethane is C=N/C(=C\C)C(C)(C)C.CC.
What is the InChIKey of N-[(Z)-4,4-dimethylpent-2-en-3-yl]methanimine;ethane?
The InChIKey is RPRSHOSEOBBIFU-NAFXZHHSSA-N. The full InChI is InChI=1S/C8H15N.C2H6/c1-6-7(9-5)8(2,3)4;1-2/h6H,5H2,1-4H3;1-2H3/b7-6-;.
What are the key properties of N-[(Z)-4,4-dimethylpent-2-en-3-yl]methanimine;ethane?
N-[(Z)-4,4-dimethylpent-2-en-3-yl]methanimine;ethane has a molecular weight of 155.28 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4,4-dimethylpent-2-en-3-yl]methanimine;ethane is sourced from PubChem (CID 145163101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).