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

C11H21N — CID 167203129

IUPAC2,2-dimethyl-N-[(Z)-prop-1-enyl]hexan-3-imine
SMILESC/C=C\N=C(/CCC)C(C)(C)C
InChIInChI=1S/C11H21N/c1-6-8-10(11(3,4)5)12-9-7-2/h7,9H,6,8H2,1-5H3/b9-7-,12-10+
InChIKeyIBGOCGKVTCGRMM-LBTWLYDDSA-N
MW167.30 g/mol
LogP3.81
Rot. Bonds3

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

2,2-dimethyl-N-[(Z)-prop-1-enyl]hexan-3-imine (PubChem CID 167203129) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(Z)-prop-1-enyl]hexan-3-imine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(Z)-prop-1-enyl]hexan-3-imine
PubChem CID167203129
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2,2-dimethyl-N-[(Z)-prop-1-enyl]hexan-3-imine
SMILESC/C=C\N=C(/CCC)C(C)(C)C
InChIInChI=1S/C11H21N/c1-6-8-10(11(3,4)5)12-9-7-2/h7,9H,6,8H2,1-5H3/b9-7-,12-10+
InChIKeyIBGOCGKVTCGRMM-LBTWLYDDSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.81
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]hexan-3-imine?
The IUPAC name of 2,2-dimethyl-N-[(Z)-prop-1-enyl]hexan-3-imine (CID 167203129) is 2,2-dimethyl-N-[(Z)-prop-1-enyl]hexan-3-imine.
What is the SMILES notation for 2,2-dimethyl-N-[(Z)-prop-1-enyl]hexan-3-imine?
The canonical SMILES for 2,2-dimethyl-N-[(Z)-prop-1-enyl]hexan-3-imine is C/C=C\N=C(/CCC)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(Z)-prop-1-enyl]hexan-3-imine?
The InChIKey is IBGOCGKVTCGRMM-LBTWLYDDSA-N. The full InChI is InChI=1S/C11H21N/c1-6-8-10(11(3,4)5)12-9-7-2/h7,9H,6,8H2,1-5H3/b9-7-,12-10+.
What are the key properties of 2,2-dimethyl-N-[(Z)-prop-1-enyl]hexan-3-imine?
2,2-dimethyl-N-[(Z)-prop-1-enyl]hexan-3-imine has a molecular weight of 167.30 g/mol, XLogP of 3.81, 3 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]hexan-3-imine is sourced from PubChem (CID 167203129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).