ethane;N,1,4,4-tetramethylazepan-2-imine

C14H32N2 — CID 155752075

IUPACethane;N,1,4,4-tetramethylazepan-2-imine
SMILESC/N=C1\CC(C)(C)CCCN1C.CC.CC
InChIInChI=1S/C10H20N2.2C2H6/c1-10(2)6-5-7-12(4)9(8-10)11-3;2*1-2/h5-8H2,1-4H3;2*1-2H3/b11-9+;;
InChIKeyOCATWBHTTTZBEW-OTBYXNOXSA-N
MW228.42 g/mol
LogP4.21
Rot. Bonds

About ethane;N,1,4,4-tetramethylazepan-2-imine

ethane;N,1,4,4-tetramethylazepan-2-imine (PubChem CID 155752075) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is ethane;N,1,4,4-tetramethylazepan-2-imine.

Molecular Properties

Compound Nameethane;N,1,4,4-tetramethylazepan-2-imine
PubChem CID155752075
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Nameethane;N,1,4,4-tetramethylazepan-2-imine
SMILESC/N=C1\CC(C)(C)CCCN1C.CC.CC
InChIInChI=1S/C10H20N2.2C2H6/c1-10(2)6-5-7-12(4)9(8-10)11-3;2*1-2/h5-8H2,1-4H3;2*1-2H3/b11-9+;;
InChIKeyOCATWBHTTTZBEW-OTBYXNOXSA-N
XLogP4.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3,3-difluoro-1-methylpiperidin-2-one
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1,4,4,7,7-pentamethylazecane
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6,6-dimethyl-1,2,3,4,5,7,8,9-octahydrobenzo[7]annulene;ethane
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1,1-dimethyl-3-methylidenecyclohexane;ethane
CID 91238646
1,6,6-trimethylazecane
CID 137411495
1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-2-imine
CID 90654274
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
ethane;methane;1,1,2,2-tetramethylcyclohexane
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CID 123180504

Frequently Asked Questions

What is the IUPAC name of ethane;N,1,4,4-tetramethylazepan-2-imine?
The IUPAC name of ethane;N,1,4,4-tetramethylazepan-2-imine (CID 155752075) is ethane;N,1,4,4-tetramethylazepan-2-imine.
What is the SMILES notation for ethane;N,1,4,4-tetramethylazepan-2-imine?
The canonical SMILES for ethane;N,1,4,4-tetramethylazepan-2-imine is C/N=C1\CC(C)(C)CCCN1C.CC.CC.
What is the InChIKey of ethane;N,1,4,4-tetramethylazepan-2-imine?
The InChIKey is OCATWBHTTTZBEW-OTBYXNOXSA-N. The full InChI is InChI=1S/C10H20N2.2C2H6/c1-10(2)6-5-7-12(4)9(8-10)11-3;2*1-2/h5-8H2,1-4H3;2*1-2H3/b11-9+;;.
What are the key properties of ethane;N,1,4,4-tetramethylazepan-2-imine?
ethane;N,1,4,4-tetramethylazepan-2-imine has a molecular weight of 228.42 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,1,4,4-tetramethylazepan-2-imine is sourced from PubChem (CID 155752075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).