N,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine

C14H28N2 — CID 72560385

IUPACN,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine
SMILESC/N=C(/C=C(N(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28N2/c1-13(2,3)11(15-7)10-12(16(8)9)14(4,5)6/h10H,1-9H3/b12-10?,15-11-
InChIKeyXXGITILAACIXEB-NCCVYDQASA-N
MW224.39 g/mol
LogP3.59
Rot. Bonds2

About N,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine

N,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine (PubChem CID 72560385) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine.

Molecular Properties

Compound NameN,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine
PubChem CID72560385
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine
SMILESC/N=C(/C=C(N(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28N2/c1-13(2,3)11(15-7)10-12(16(8)9)14(4,5)6/h10H,1-9H3/b12-10?,15-11-
InChIKeyXXGITILAACIXEB-NCCVYDQASA-N
XLogP3.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-Di-tert-butyl-4,8-dimethyl-1,5-diazocine
CID 102291686
(Z)-N,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine
CID 59782158
(Z)-N,N,5,5-tetramethyl-4-methyliminohex-2-en-2-amine
CID 59782196
N,N,5,5-tetramethyl-4-methyliminohex-2-en-2-amine
CID 72560394
(3Z)-N,N,2,6,6-pentamethyl-5-methyliminohepta-1,3-dien-3-amine
CID 88945024
(Z)-2,2,6,6-tetramethyl-5-prop-1-en-2-yliminohept-3-en-3-amine
CID 118188486
5-Tert-butyl-1,7-dimethyl-2,3-dihydro-1,4-diazepine
CID 123363062
(Z)-2,2-dimethyl-N-prop-1-en-2-ylhex-4-en-3-imine
CID 129132722
(Z)-3-N,2,2,6,6-pentamethyl-5-N-methylidenehept-4-ene-3,5-diimine
CID 134189688
2,3,5-Tritert-butyl-1,4-diazacyclohepta-2,4,6,7-tetraene
CID 135228527
N-(3,3-dimethylbut-1-en-2-yl)-2,2,5-trimethylhex-4-en-3-imine
CID 139315734
N-[(Z)-4,4-dimethylpent-2-en-3-yl]-4,4-dimethylpent-1-en-3-imine
CID 146796428

Frequently Asked Questions

What is the IUPAC name of N,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine?
The IUPAC name of N,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine (CID 72560385) is N,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine.
What is the SMILES notation for N,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine?
The canonical SMILES for N,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine is C/N=C(/C=C(N(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine?
The InChIKey is XXGITILAACIXEB-NCCVYDQASA-N. The full InChI is InChI=1S/C14H28N2/c1-13(2,3)11(15-7)10-12(16(8)9)14(4,5)6/h10H,1-9H3/b12-10?,15-11-.
What are the key properties of N,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine?
N,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine has a molecular weight of 224.39 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine is sourced from PubChem (CID 72560385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).