2,2-dimethyl-N-[(Z)-prop-1-enyl]pentan-3-imine

C10H19N — CID 155014494

IUPAC2,2-dimethyl-N-[(Z)-prop-1-enyl]pentan-3-imine
SMILESC/C=C\N=C(/CC)C(C)(C)C
InChIInChI=1S/C10H19N/c1-6-8-11-9(7-2)10(3,4)5/h6,8H,7H2,1-5H3/b8-6-,11-9+
InChIKeyFTSDGTSJDPVMEI-ZOEDNYEGSA-N
MW153.27 g/mol
LogP3.42
Rot. Bonds2

About 2,2-dimethyl-N-[(Z)-prop-1-enyl]pentan-3-imine

2,2-dimethyl-N-[(Z)-prop-1-enyl]pentan-3-imine (PubChem CID 155014494) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(Z)-prop-1-enyl]pentan-3-imine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(Z)-prop-1-enyl]pentan-3-imine
PubChem CID155014494
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2,2-dimethyl-N-[(Z)-prop-1-enyl]pentan-3-imine
SMILESC/C=C\N=C(/CC)C(C)(C)C
InChIInChI=1S/C10H19N/c1-6-8-11-9(7-2)10(3,4)5/h6,8H,7H2,1-5H3/b8-6-,11-9+
InChIKeyFTSDGTSJDPVMEI-ZOEDNYEGSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 2,2-dimethyl-N-[(Z)-prop-1-enyl]pentan-3-imine?
The IUPAC name of 2,2-dimethyl-N-[(Z)-prop-1-enyl]pentan-3-imine (CID 155014494) is 2,2-dimethyl-N-[(Z)-prop-1-enyl]pentan-3-imine.
What is the SMILES notation for 2,2-dimethyl-N-[(Z)-prop-1-enyl]pentan-3-imine?
The canonical SMILES for 2,2-dimethyl-N-[(Z)-prop-1-enyl]pentan-3-imine is C/C=C\N=C(/CC)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(Z)-prop-1-enyl]pentan-3-imine?
The InChIKey is FTSDGTSJDPVMEI-ZOEDNYEGSA-N. The full InChI is InChI=1S/C10H19N/c1-6-8-11-9(7-2)10(3,4)5/h6,8H,7H2,1-5H3/b8-6-,11-9+.
What are the key properties of 2,2-dimethyl-N-[(Z)-prop-1-enyl]pentan-3-imine?
2,2-dimethyl-N-[(Z)-prop-1-enyl]pentan-3-imine has a molecular weight of 153.27 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(Z)-prop-1-enyl]pentan-3-imine is sourced from PubChem (CID 155014494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).