N-[(Z)-but-2-en-2-yl]-3-methylpentan-2-imine

C10H19N — CID 155301799

IUPACN-[(Z)-but-2-en-2-yl]-3-methylpentan-2-imine
SMILESC/C=C(C)\N=C(/C)C(C)CC
InChIInChI=1S/C10H19N/c1-6-8(3)10(5)11-9(4)7-2/h7-8H,6H2,1-5H3/b9-7-,11-10+
InChIKeyBCBIWXWPMWZDHE-NKTIYDDZSA-N
MW153.27 g/mol
LogP3.42
Rot. Bonds3

About N-[(Z)-but-2-en-2-yl]-3-methylpentan-2-imine

N-[(Z)-but-2-en-2-yl]-3-methylpentan-2-imine (PubChem CID 155301799) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-3-methylpentan-2-imine.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-3-methylpentan-2-imine
PubChem CID155301799
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-[(Z)-but-2-en-2-yl]-3-methylpentan-2-imine
SMILESC/C=C(C)\N=C(/C)C(C)CC
InChIInChI=1S/C10H19N/c1-6-8(3)10(5)11-9(4)7-2/h7-8H,6H2,1-5H3/b9-7-,11-10+
InChIKeyBCBIWXWPMWZDHE-NKTIYDDZSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.42
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)-but-2-en-2-yl]-3-methylpentan-2-imine?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-3-methylpentan-2-imine (CID 155301799) is N-[(Z)-but-2-en-2-yl]-3-methylpentan-2-imine.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-3-methylpentan-2-imine?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-3-methylpentan-2-imine is C/C=C(C)\N=C(/C)C(C)CC.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-3-methylpentan-2-imine?
The InChIKey is BCBIWXWPMWZDHE-NKTIYDDZSA-N. The full InChI is InChI=1S/C10H19N/c1-6-8(3)10(5)11-9(4)7-2/h7-8H,6H2,1-5H3/b9-7-,11-10+.
What are the key properties of N-[(Z)-but-2-en-2-yl]-3-methylpentan-2-imine?
N-[(Z)-but-2-en-2-yl]-3-methylpentan-2-imine has a molecular weight of 153.27 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]-3-methylpentan-2-imine is sourced from PubChem (CID 155301799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).