N-methylethanimine;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine

C14H24N2 — CID 54326637

IUPACN-methylethanimine;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine
SMILESC/C=N/C.CC(N)=C1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C11H17N.C3H7N/c1-6-7(2)9(4)11(8(6)3)10(5)12;1-3-4-2/h12H2,1-5H3;3H,1-2H3/b;4-3+
InChIKeySVKMPPIGEWRYCE-SCBDLNNBSA-N
MW220.36 g/mol
LogP3.61
Rot. Bonds

About N-methylethanimine;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine

N-methylethanimine;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine (PubChem CID 54326637) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-methylethanimine;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine.

Molecular Properties

Compound NameN-methylethanimine;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine
PubChem CID54326637
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-methylethanimine;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine
SMILESC/C=N/C.CC(N)=C1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C11H17N.C3H7N/c1-6-7(2)9(4)11(8(6)3)10(5)12;1-3-4-2/h12H2,1-5H3;3H,1-2H3/b;4-3+
InChIKeySVKMPPIGEWRYCE-SCBDLNNBSA-N
XLogP3.61
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4-(5-methyl-3H-pyrrol-4-yl)-3H-pyrrole
CID 89607123
(Z)-1-[(7E)-3-methyl-4-azabicyclo[6.3.0]undeca-1,2,4,7,10-pentaen-7-yl]prop-1-en-2-amine
CID 117662519
(4E,6E)-4,5,6-trimethyl-7-N-methylideneocta-4,6-diene-2,7-diimine
CID 124004514
ethene;(2Z)-3-(ethylideneamino)-4-methylpenta-2,4-dien-2-amine
CID 141816855
ethane;(2Z)-1-N-methyl-2-[1-(methylideneamino)ethylidene]pentane-1,4-diimine
CID 141838865
(E)-4-ethyl-5-(ethylideneamino)hex-4-en-1-amine
CID 141889668
6-Methylidene-5-(methyliminomethyl)oct-4-en-4-amine
CID 173846396
(2Z)-3-(ethylideneamino)-4-methylpenta-2,4-dien-2-amine
CID 141816856
(2E,4Z)-3-(butylideneamino)-2-(ethylideneamino)-5-methylhepta-2,4-dien-4-amine
CID 171106730

Frequently Asked Questions

What is the IUPAC name of N-methylethanimine;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine?
The IUPAC name of N-methylethanimine;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine (CID 54326637) is N-methylethanimine;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine.
What is the SMILES notation for N-methylethanimine;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine?
The canonical SMILES for N-methylethanimine;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine is C/C=N/C.CC(N)=C1C(C)=C(C)C(C)=C1C.
What is the InChIKey of N-methylethanimine;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine?
The InChIKey is SVKMPPIGEWRYCE-SCBDLNNBSA-N. The full InChI is InChI=1S/C11H17N.C3H7N/c1-6-7(2)9(4)11(8(6)3)10(5)12;1-3-4-2/h12H2,1-5H3;3H,1-2H3/b;4-3+.
What are the key properties of N-methylethanimine;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine?
N-methylethanimine;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine has a molecular weight of 220.36 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethanimine;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine is sourced from PubChem (CID 54326637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).